smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC[C@@H](c2cnc(N3CCC(C(N)=O)CC3)cn2)C1 ZINC000072364955 191134316 /nfs/dbraw/zinc/13/43/16/191134316.db2.gz ITEYYABVGKTWOS-CYBMUJFWSA-N 0 3 303.410 0.988 40 0 DCABHN CN(C)Cc1ccc(C(=O)N2CCO[C@](C)(C(N)=O)C2)cc1 ZINC000072378242 191140233 /nfs/dbraw/zinc/14/02/33/191140233.db2.gz KTPBRYXBQKYXGI-INIZCTEOSA-N 0 3 305.378 0.465 40 0 DCABHN NC(=O)[C@H](N)CCC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000006575382 181356477 /nfs/dbraw/zinc/35/64/77/181356477.db2.gz XZPWKRZDRFWUGL-MNOVXSKESA-N 0 3 306.391 0.259 40 0 DCABHN Cc1nc([C@H]2COCCN2C(=O)C2CC[NH2+]CC2)cc(=O)[n-]1 ZINC000257290417 203015455 /nfs/dbraw/zinc/01/54/55/203015455.db2.gz QCWHHPBIKGDABW-CYBMUJFWSA-N 0 3 306.366 0.390 40 0 DCABHN NC1(C(=O)N2CCOC[C@H](Cc3ccncn3)C2)CCCC1 ZINC000257337107 203058038 /nfs/dbraw/zinc/05/80/38/203058038.db2.gz YRKORMIVGWOCQU-CYBMUJFWSA-N 0 3 304.394 0.766 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000257342929 203065424 /nfs/dbraw/zinc/06/54/24/203065424.db2.gz ZQRDTIQFGOMWTC-CYBMUJFWSA-N 0 3 301.774 0.786 40 0 DCABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O ZINC000252514338 257106576 /nfs/dbraw/zinc/10/65/76/257106576.db2.gz CLEKZLFEZSGJQW-OUCADQQQSA-N 0 3 315.366 0.844 40 0 DCABHN Cn1cc(C(=O)N[C@H]2CN([C@@H]3CCOC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC000096186880 395747909 /nfs/dbraw/zinc/74/79/09/395747909.db2.gz ALZYCEAWSAZNGV-LXTVHRRPSA-N 0 3 320.393 0.171 40 0 DCABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096080929 395743108 /nfs/dbraw/zinc/74/31/08/395743108.db2.gz LAYMJYJCQJXHHA-ZIAGYGMSSA-N 0 3 317.389 0.925 40 0 DCABHN CC(C)CN1CCNC(=O)C12CCN(Cc1nccn1C)CC2 ZINC000096230169 395750879 /nfs/dbraw/zinc/75/08/79/395750879.db2.gz FHOFXUXRBAHYOK-UHFFFAOYSA-N 0 3 319.453 0.843 40 0 DCABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)CC[C@H]21 ZINC000247964910 395980213 /nfs/dbraw/zinc/98/02/13/395980213.db2.gz GHWSSYHBBSJLMA-CVEARBPZSA-N 0 3 320.437 0.882 40 0 DCABHN Cc1ccnc([C@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257214670 396039362 /nfs/dbraw/zinc/03/93/62/396039362.db2.gz CMYPYGPMKRYWNB-ZDUSSCGKSA-N 0 3 324.450 0.998 40 0 DCABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1ncccn1)C2)[C@H]3O ZINC000257266425 396045060 /nfs/dbraw/zinc/04/50/60/396045060.db2.gz MCYYUSLHBZUVGK-CGEFAEBTSA-N 0 3 316.405 0.782 40 0 DCABHN CN1CCC(C)(C(=O)N2CCC[C@](O)(CCC(N)=O)C2)CC1 ZINC000585279689 396645411 /nfs/dbraw/zinc/64/54/11/396645411.db2.gz XGNQDFSSHUNKQX-INIZCTEOSA-N 0 3 311.426 0.337 40 0 DCABHN O=C(CN1CCNCC1)Nc1ccc(Cn2cnnc2)cc1 ZINC000023292109 415158061 /nfs/dbraw/zinc/15/80/61/415158061.db2.gz VXDVUDSNTUMTOV-UHFFFAOYSA-N 0 3 300.366 0.170 40 0 DCABHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCN(C)C)cc1 ZINC000045164875 415243911 /nfs/dbraw/zinc/24/39/11/415243911.db2.gz PQCKYVXCQPMKNS-UHFFFAOYSA-N 0 3 313.423 0.293 40 0 DCABHN COCCNc1ccc(C[C@H]2CCCN(C(=O)CN)C2)nn1 ZINC000072387254 191145342 /nfs/dbraw/zinc/14/53/42/191145342.db2.gz MJNMFFJEMHMEHD-GFCCVEGCSA-N 0 3 307.398 0.275 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2c(C)noc2C)C1 ZINC000257278943 203008477 /nfs/dbraw/zinc/00/84/77/203008477.db2.gz OEIKFSOBWWUJHF-CYBMUJFWSA-N 0 3 322.409 0.360 40 0 DCABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccn(C)n2)c1 ZINC000257330320 203052948 /nfs/dbraw/zinc/05/29/48/203052948.db2.gz XNWIMUYYXPEHBL-INIZCTEOSA-N 0 3 313.405 0.926 40 0 DCABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)CN(C)C)n1 ZINC000019760494 395690955 /nfs/dbraw/zinc/69/09/55/395690955.db2.gz CLMRIKGMZZRXJR-CYBMUJFWSA-N 0 3 320.441 0.487 40 0 DCABHN Cc1ccc(OC[C@]2(O)COCCN(CCC(N)=O)C2)cc1 ZINC000585268986 396643305 /nfs/dbraw/zinc/64/33/05/396643305.db2.gz GNTCWDUJTHCVDL-MRXNPFEDSA-N 0 3 308.378 0.313 40 0 DCABHN CNc1ccc(Br)c2c1[C@H](N)[C@@H](O)[C@@H](O)[C@@H]2N ZINC000575624205 397314386 /nfs/dbraw/zinc/31/43/86/397314386.db2.gz OYVJHHDPOVHJMG-VPOLOUISSA-N 0 3 302.172 0.226 40 0 DCABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1OC ZINC000298094422 415992103 /nfs/dbraw/zinc/99/21/03/415992103.db2.gz IUNJUSANADQCKX-AWEZNQCLSA-N 0 3 319.405 0.912 40 0 DCABHN CN(C)C(=O)CO[C@@H]1Cn2cccc2CN(C2CCOCC2)C1 ZINC000247988989 416333060 /nfs/dbraw/zinc/33/30/60/416333060.db2.gz LBSSVDWBBBRUTF-MRXNPFEDSA-N 0 3 321.421 0.956 40 0 DCABHN O=c1cc(C[C@H]2COCC[N@@H+](CC3(O)CCOCC3)C2)nc[n-]1 ZINC000257259328 416335213 /nfs/dbraw/zinc/33/52/13/416335213.db2.gz KXVDQPGOCZODNN-CYBMUJFWSA-N 0 3 323.393 0.215 40 0 DCABHN O=c1cc(C[C@H]2COCC[N@H+](CC3(O)CCOCC3)C2)nc[n-]1 ZINC000257259328 416335214 /nfs/dbraw/zinc/33/52/14/416335214.db2.gz KXVDQPGOCZODNN-CYBMUJFWSA-N 0 3 323.393 0.215 40 0 DCABHN O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cccc(F)c1 ZINC000952844819 768908699 /nfs/dbraw/zinc/90/86/99/768908699.db2.gz LQJIXCGDTZJYEN-DGXTUMSLSA-N 0 3 319.336 0.838 40 0 biogenic,in-vitro DCABHN C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)CN)CC[C@@H]2O1 ZINC000257331599 203055061 /nfs/dbraw/zinc/05/50/61/203055061.db2.gz XTOAVGZTKGQJLZ-IVMMDQJWSA-N 0 3 305.378 0.815 40 0 DCABHN CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(CC(N)=O)C1 ZINC000257331237 203055378 /nfs/dbraw/zinc/05/53/78/203055378.db2.gz XRYABQPWPYABQZ-INIZCTEOSA-N 0 3 319.409 0.113 40 0 DCABHN CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)CN ZINC000218193057 257130820 /nfs/dbraw/zinc/13/08/20/257130820.db2.gz VXDGQQJHJDKERH-AXFHLTTASA-N 0 3 319.224 0.616 40 0 DCABHN CC1(C)[C@H](OC[C@H](O)CN(CCO)CCO)[C@]2(C)CC[C@H]1C2 ZINC000002679797 395681853 /nfs/dbraw/zinc/68/18/53/395681853.db2.gz DDMGCGGKEMYWRP-QSJFSLAZSA-N 0 3 315.454 0.865 40 0 DCABHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(Cc3ccoc3)C[C@@H]2C1 ZINC000096054135 395741365 /nfs/dbraw/zinc/74/13/65/395741365.db2.gz AFWCPOXOEHNOEQ-ZIAGYGMSSA-N 0 3 313.423 0.840 40 0 DCABHN Cn1cc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCCO3)C2)cn1 ZINC000096110136 395744939 /nfs/dbraw/zinc/74/49/39/395744939.db2.gz LUFJRZDDIFMESH-UKRRQHHQSA-N 0 3 306.366 0.032 40 0 DCABHN CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2 ZINC000096108298 395745318 /nfs/dbraw/zinc/74/53/18/395745318.db2.gz ZHWZCQJURIRNLN-ZBFHGGJFSA-N 0 3 304.394 0.801 40 0 DCABHN COCCN1CC[C@]2(C1)COCCN(C(=O)c1ccccn1)C2 ZINC000096202003 395749596 /nfs/dbraw/zinc/74/95/96/395749596.db2.gz ASRLQSWDKDPGLH-QGZVFWFLSA-N 0 3 319.405 0.893 40 0 DCABHN Cc1nc(CN2CCO[C@@H]3CN(CCO)CC[C@@H]3C2)cs1 ZINC000096249697 395751970 /nfs/dbraw/zinc/75/19/70/395751970.db2.gz UPVCKCWWZNLVIK-UKRRQHHQSA-N 0 3 311.451 0.967 40 0 DCABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cnccn1)C2)[C@H]3O ZINC000257208081 396037237 /nfs/dbraw/zinc/03/72/37/396037237.db2.gz BKQHSVWOBHVOMR-RPVAFNKOSA-N 0 3 316.405 0.782 40 0 DCABHN COc1ccc(CC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)cc1 ZINC000257240092 396041859 /nfs/dbraw/zinc/04/18/59/396041859.db2.gz HSABMKBGSNPFCP-HZPDHXFCSA-N 0 3 304.390 0.905 40 0 DCABHN Cc1noc(C)c1CCC(=O)N1CCN(C)C[C@H](C(N)=O)C1 ZINC000257255642 396044385 /nfs/dbraw/zinc/04/43/85/396044385.db2.gz KIHWWXSRTFTGBX-LBPRGKRZSA-N 0 3 308.382 0.100 40 0 DCABHN CC(=O)N1CCC(O)(CN2CC[C@@H](c3nccc(C)n3)C2)CC1 ZINC000257265762 396045119 /nfs/dbraw/zinc/04/51/19/396045119.db2.gz MADVDALDAMQXJB-OAHLLOKOSA-N 0 3 318.421 0.948 40 0 DCABHN CC(C)CN1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099659 396639367 /nfs/dbraw/zinc/63/93/67/396639367.db2.gz VBDNHOATOFKLEW-CQSZACIVSA-N 0 3 302.440 0.611 40 0 DCABHN CN(C)C[C@@H]1CCn2nccc2CN1C(=O)c1cnccn1 ZINC000585097897 396639424 /nfs/dbraw/zinc/63/94/24/396639424.db2.gz SPJAXXWLEYZTGB-LBPRGKRZSA-N 0 3 300.366 0.649 40 0 DCABHN CN(C)CCNC(=O)[C@@H]1C[C@@]2(CO1)CN(C)c1ccccc12 ZINC000107275429 276790762 /nfs/dbraw/zinc/79/07/62/276790762.db2.gz GKQWKTVFGSJBKW-RDJZCZTQSA-N 0 3 303.406 0.841 40 0 DCABHN C[C@H]1CCCN(c2ncc3c(n2)[C@H]2CNC[C@H]2S(=O)(=O)C3)C1 ZINC000096251989 290455180 /nfs/dbraw/zinc/45/51/80/290455180.db2.gz AJUHZRLXWSEELD-WCFLWFBJSA-N 0 3 322.434 0.697 40 0 DCABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(OC)c1 ZINC000298124723 529076945 /nfs/dbraw/zinc/07/69/45/529076945.db2.gz VYMMXWCPCTWWFG-CQSZACIVSA-N 0 3 319.405 0.912 40 0 DCABHN CC[C@@H]1CN(C(=O)C2CC2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 ZINC001772594846 1157774641 /nfs/dbraw/zinc/77/46/41/1157774641.db2.gz ANHQYWOTSSUDBU-FVQBIDKESA-N 0 3 309.454 0.489 40 0 DCABHN CN(C)CCO[C@H]1CN(c2ncc(F)cn2)[C@@H]2CCCO[C@@H]21 ZINC000096040928 282109646 /nfs/dbraw/zinc/10/96/46/282109646.db2.gz XAKZHBWMTRSBSF-RDBSUJKOSA-N 0 3 310.373 0.930 40 0 DCABHN O=C1CO[C@H]2CCN(Cc3ccc4c(c3)OCCO4)CC[C@@H]2N1 ZINC000257293971 203019962 /nfs/dbraw/zinc/01/99/62/203019962.db2.gz QRXBPIBWURBIDT-KBPBESRZSA-N 0 3 318.373 0.937 40 0 DCABHN COCCN1C[C@H](COC)C2(C1)CCN(S(C)(=O)=O)CC2 ZINC000247825503 285062969 /nfs/dbraw/zinc/06/29/69/285062969.db2.gz FRUYBBNFNJZQJV-CYBMUJFWSA-N 0 3 320.455 0.253 40 0 DCABHN COC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000012650417 395687889 /nfs/dbraw/zinc/68/78/89/395687889.db2.gz FMYZNHLSFOTKFH-STQMWFEESA-N 0 3 310.419 0.967 40 0 DCABHN CNc1cc(CN(C)C(=O)CN(C)C)nc([C@@H]2CCCN2)n1 ZINC000019760680 395691001 /nfs/dbraw/zinc/69/10/01/395691001.db2.gz ZCJHZYGEDPVZPO-LBPRGKRZSA-N 0 3 306.414 0.463 40 0 DCABHN CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3nccn3C)CC[C@@H]21 ZINC000096185568 395747317 /nfs/dbraw/zinc/74/73/17/395747317.db2.gz ZITJPMQFXIXNIP-PMPSAXMXSA-N 0 3 319.453 0.793 40 0 DCABHN c1ncn(Cc2cnc3n2CCN(C[C@H]2CCOC2)CC3)n1 ZINC000096197008 395748227 /nfs/dbraw/zinc/74/82/27/395748227.db2.gz XMJFXIKEKCDRMC-CYBMUJFWSA-N 0 3 302.382 0.418 40 0 DCABHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1Cc1cnn(C)c1 ZINC000096200929 395748862 /nfs/dbraw/zinc/74/88/62/395748862.db2.gz WNDMOHFQBWMSMK-QLFBSQMISA-N 0 3 306.410 0.673 40 0 DCABHN CN(C)CCN1CCOC[C@@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049774 395741681 /nfs/dbraw/zinc/74/16/81/395741681.db2.gz JIUNUQRVJMOAQR-KRWDZBQOSA-N 0 3 323.437 0.744 40 0 DCABHN O=C(N1CCCC1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054397 395741705 /nfs/dbraw/zinc/74/17/05/395741705.db2.gz IQLAMPSFEJJXOY-CVEARBPZSA-N 0 3 322.453 0.683 40 0 DCABHN CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1ccoc1)C2 ZINC000096108690 395744784 /nfs/dbraw/zinc/74/47/84/395744784.db2.gz GRQMQEROYKZPPG-ZBFHGGJFSA-N 0 3 308.378 0.833 40 0 DCABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3ccno3)CC[C@@H]21 ZINC000096249265 395752013 /nfs/dbraw/zinc/75/20/13/395752013.db2.gz IVOXIOCCSWNOSU-KBPBESRZSA-N 0 3 322.409 0.542 40 0 DCABHN CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCCN1CCCCC1 ZINC000225403214 395858726 /nfs/dbraw/zinc/85/87/26/395858726.db2.gz HJSSOVFZAWSPLD-AWEZNQCLSA-N 0 3 324.469 0.578 40 0 biogenic,in-vitro DCABHN O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257215027 396039348 /nfs/dbraw/zinc/03/93/48/396039348.db2.gz COJCWUKQWFWAIG-ZIAGYGMSSA-N 0 3 318.373 0.625 40 0 DCABHN CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)N2Cc2cnn(C)c2C)C1 ZINC000257262803 396044989 /nfs/dbraw/zinc/04/49/89/396044989.db2.gz LMZRCQMDUQIJRK-BHYGNILZSA-N 0 3 320.437 0.922 40 0 DCABHN Cc1noc(CC(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)n1 ZINC000585098122 396639144 /nfs/dbraw/zinc/63/91/44/396639144.db2.gz UIPWAJYCPDMEQF-LBPRGKRZSA-N 0 3 318.381 0.480 40 0 DCABHN N[C@@H](c1n[nH]c(CCN2CCOCC2)n1)c1ccc(F)cc1 ZINC000095533293 415564438 /nfs/dbraw/zinc/56/44/38/415564438.db2.gz VXSATISJRGSSNU-CQSZACIVSA-N 0 3 305.357 0.867 40 0 DCABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(OC)cc1 ZINC000298084730 415992686 /nfs/dbraw/zinc/99/26/86/415992686.db2.gz DZWHIYSEOLBJIR-AWEZNQCLSA-N 0 3 319.405 0.912 40 0 DCABHN Cn1cccc1C(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257271585 416335101 /nfs/dbraw/zinc/33/51/01/416335101.db2.gz MYYAQZZHKUSLIE-HOCLYGCPSA-N 0 3 320.437 0.238 40 0 DCABHN CCOCCN1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096043400 276324194 /nfs/dbraw/zinc/32/41/94/276324194.db2.gz KGAOWZOLJGHHQP-QLFBSQMISA-N 0 3 312.410 0.914 40 0 DCABHN CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@H](N3CCCC3)C2)C1 ZINC000170740348 278177568 /nfs/dbraw/zinc/17/75/68/278177568.db2.gz VSXCBFZUXDQQGI-HOTGVXAUSA-N 0 3 322.453 0.284 40 0 DCABHN CC(=O)N1CCOC[C@]2(CC[C@@H](CNCc3ccncc3)O2)C1 ZINC000306131278 526639099 /nfs/dbraw/zinc/63/90/99/526639099.db2.gz JZXDOBCPBIRXKS-IRXDYDNUSA-N 0 3 319.405 0.968 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@H]1O ZINC000257309180 203034180 /nfs/dbraw/zinc/03/41/80/203034180.db2.gz TZWDPNQQVKVMOX-ZIAGYGMSSA-N 0 3 301.350 0.219 40 0 DCABHN COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H](N(C)C)[C@H]2O)c1 ZINC000257316784 203041754 /nfs/dbraw/zinc/04/17/54/203041754.db2.gz VGZHINQGCHXNKO-MQYQWHSLSA-N 0 3 309.366 0.174 40 0 DCABHN O=C1[C@H]2CN(c3ncccn3)C[C@H]2CN1CCN1CCCC1 ZINC000096245055 285008843 /nfs/dbraw/zinc/00/88/43/285008843.db2.gz TZVLSDIQTXHHLD-KGLIPLIRSA-N 0 3 301.394 0.467 40 0 DCABHN CCN(CC)C[C@@H]1OC[C@H](NC(=O)NCc2ccccc2)[C@H]1O ZINC000514288622 257216118 /nfs/dbraw/zinc/21/61/18/257216118.db2.gz JGJWBJRAMPXESD-HRCADAONSA-N 0 3 321.421 0.956 40 0 biogenic,in-vitro DCABHN CS(=O)(=O)NC[C@H]1CO[C@@H]2CN(CCc3ccccc3)C[C@H]12 ZINC000306129481 533408850 /nfs/dbraw/zinc/40/88/50/533408850.db2.gz IELQIPRHPRWBHG-ARFHVFGLSA-N 0 3 324.446 0.725 40 0 DCABHN Cn1cc(C(=O)N[C@H]2CN([C@H]3CCOC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC000096186881 395747971 /nfs/dbraw/zinc/74/79/71/395747971.db2.gz ALZYCEAWSAZNGV-BYNSBNAKSA-N 0 3 320.393 0.171 40 0 DCABHN COc1ncccc1CN1C[C@@H]2COC[C@]2(C(=O)N(C)C)C1 ZINC000096206377 395749379 /nfs/dbraw/zinc/74/93/79/395749379.db2.gz BRBPCJYZMIUIMY-CZUORRHYSA-N 0 3 305.378 0.627 40 0 DCABHN CC(C)NC(=O)N1CCc2onc(C(=O)NCCN(C)C)c2C1 ZINC000096254355 395752136 /nfs/dbraw/zinc/75/21/36/395752136.db2.gz BDRABXHUBYYGPR-UHFFFAOYSA-N 0 3 323.397 0.442 40 0 DCABHN CC(C)c1nnc(CCC(=O)N2CCN(C)C[C@@H](C(N)=O)C2)o1 ZINC000257227889 396041334 /nfs/dbraw/zinc/04/13/34/396041334.db2.gz FRKDTXMANPXYGP-LLVKDONJSA-N 0 3 323.397 0.001 40 0 DCABHN O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(C1CCOCC1)C2 ZINC000096038724 415572446 /nfs/dbraw/zinc/57/24/46/415572446.db2.gz DNWKFTPIXSLFKN-NVXWUHKLSA-N 0 3 324.421 0.505 40 0 DCABHN Cn1cccc1C(=O)N[C@@H]1CN([C@@H]2CCOC2)[C@@H]2COC[C@H]12 ZINC000096038586 415573276 /nfs/dbraw/zinc/57/32/76/415573276.db2.gz FYTJHYVPTQSQSG-RGCMKSIDSA-N 0 3 305.378 0.243 40 0 DCABHN CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1cccnc1OC)C2 ZINC000096038762 415573567 /nfs/dbraw/zinc/57/35/67/415573567.db2.gz UQRVEAXXWUDSBK-CZUORRHYSA-N 0 3 305.378 0.817 40 0 DCABHN CCc1cnc(N2CCO[C@@H]3CN(CCO)CC[C@@H]3C2)nc1 ZINC000096249771 415574438 /nfs/dbraw/zinc/57/44/38/415574438.db2.gz CWWHOFJTPLPAEV-HUUCEWRRSA-N 0 3 306.410 0.558 40 0 DCABHN CN(C)C[C@@]1(O)[C@H](O)C[C@@H](N(C)C(=O)OC(C)(C)C)C[C@@H]1O ZINC000257288056 203013975 /nfs/dbraw/zinc/01/39/75/203013975.db2.gz PSPURZUGBKZUEC-DEJZVVOUSA-N 0 3 318.414 0.030 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000257294262 203019191 /nfs/dbraw/zinc/01/91/91/203019191.db2.gz QTHLHCGDHPFGQF-AWEZNQCLSA-N 0 3 321.396 0.895 40 0 DCABHN OCCN1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC000020534605 182227837 /nfs/dbraw/zinc/22/78/37/182227837.db2.gz QQXUUXNSRGIZDM-UHFFFAOYSA-N 0 3 304.438 0.656 40 0 DCABHN O=C([C@@H]1COc2ccccc2O1)N1CCC2(CC1)CNCCO2 ZINC000096091760 284514101 /nfs/dbraw/zinc/51/41/01/284514101.db2.gz KWAXDSHEECWUGU-HNNXBMFYSA-N 0 3 318.373 0.807 40 0 DCABHN CCOC(=O)[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1cccc(F)c1 ZINC000242648941 257120199 /nfs/dbraw/zinc/12/01/99/257120199.db2.gz RLJKFTSIVROBMQ-YRGRVCCFSA-N 0 3 315.366 0.844 40 0 DCABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O ZINC000242648940 257120268 /nfs/dbraw/zinc/12/02/68/257120268.db2.gz RLJKFTSIVROBMQ-OUCADQQQSA-N 0 3 315.366 0.844 40 0 DCABHN CCN(C)S(=O)(=O)c1cncc(Cl)c1N1CCNCC1 ZINC000072210725 257127910 /nfs/dbraw/zinc/12/79/10/257127910.db2.gz CAZUUMFYFUHYJU-UHFFFAOYSA-N 0 3 318.830 0.785 40 0 DCABHN O=C(N[C@H]1CN([C@@H]2CCOC2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186918 395747612 /nfs/dbraw/zinc/74/76/12/395747612.db2.gz YAOSXJKLYJVNTR-FAAHXZRKSA-N 0 3 318.377 0.227 40 0 DCABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)o1 ZINC000096186832 395747958 /nfs/dbraw/zinc/74/79/58/395747958.db2.gz QMVFPGVEOVVQDD-MRVWCRGKSA-N 0 3 314.407 0.584 40 0 DCABHN CN(C)CCN1CC[C@]2(CCCN(Cc3nccn3C)C2)C1=O ZINC000096073940 395743212 /nfs/dbraw/zinc/74/32/12/395743212.db2.gz HJLJIRWRBYJUKH-KRWDZBQOSA-N 0 3 319.453 0.796 40 0 DCABHN CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3cccn3C)C2)O1 ZINC000248129751 395983973 /nfs/dbraw/zinc/98/39/73/395983973.db2.gz PXYUDLQUTHLORH-PBHICJAKSA-N 0 3 321.421 0.977 40 0 DCABHN O=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1ccccc1 ZINC000077264280 396216459 /nfs/dbraw/zinc/21/64/59/396216459.db2.gz SQIJMTJHSAJAKI-OAGGEKHMSA-N 0 3 320.389 0.313 40 0 biogenic,in-vitro DCABHN NC(=O)C[C@]1(O)COCCN(Cc2cccc3cccnc32)C1 ZINC000585281066 396645641 /nfs/dbraw/zinc/64/56/41/396645641.db2.gz SFBXNSZBQBXEHU-QGZVFWFLSA-N 0 3 315.373 0.674 40 0 DCABHN CN1CCC(c2cnc(N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000072365510 415413043 /nfs/dbraw/zinc/41/30/43/415413043.db2.gz ZTQJEDRSPCBQNR-UHFFFAOYSA-N 0 3 310.423 0.521 40 0 DCABHN Cc1noc([C@@H]2CNC(=O)[C@@H]3CCN([C@H]4CCOC4)CC[C@@H]32)n1 ZINC000096066432 415575427 /nfs/dbraw/zinc/57/54/27/415575427.db2.gz INKRETREVADVKA-IGQOVBAYSA-N 0 3 320.393 0.709 40 0 DCABHN C[NH2+]CC(=O)N1CCC[C@@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072383016 191142685 /nfs/dbraw/zinc/14/26/85/191142685.db2.gz IOHXDMRAARMGSO-GFCCVEGCSA-N 0 3 313.365 0.893 40 0 DCABHN NCC(=O)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257279142 203009171 /nfs/dbraw/zinc/00/91/71/203009171.db2.gz OFECIFZSTWOVBT-LLVKDONJSA-N 0 3 313.365 0.675 40 0 DCABHN Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257286986 203013553 /nfs/dbraw/zinc/01/35/53/203013553.db2.gz PNYGWQBEMQDZEH-HUUCEWRRSA-N 0 3 306.410 0.627 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000257294263 203018915 /nfs/dbraw/zinc/01/89/15/203018915.db2.gz QTHLHCGDHPFGQF-CQSZACIVSA-N 0 3 321.396 0.895 40 0 DCABHN O=S(=O)(c1cnccc1N1CCNCC1)N1CCCCC1 ZINC000072210650 257128396 /nfs/dbraw/zinc/12/83/96/257128396.db2.gz DQZYHPBHBCBPIQ-UHFFFAOYSA-N 0 3 310.423 0.666 40 0 DCABHN COc1ncc(C2(O)CCN(C[C@@H]3CCOC3)CC2)c(OC)n1 ZINC000012186347 395687203 /nfs/dbraw/zinc/68/72/03/395687203.db2.gz VIMVMXRICTVGQF-LBPRGKRZSA-N 0 3 323.393 0.814 40 0 DCABHN Cn1c2ncc3c(c2c(=O)n(CCN)c1=O)CC(C)(C)CC3=O ZINC000022610612 395691854 /nfs/dbraw/zinc/69/18/54/395691854.db2.gz OOBCUHIATALBGB-UHFFFAOYSA-N 0 3 316.361 0.209 40 0 DCABHN COCCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CCN2C1 ZINC000096183188 395747183 /nfs/dbraw/zinc/74/71/83/395747183.db2.gz GTTUPOBJRGVXIM-QWHCGFSZSA-N 0 3 308.382 0.411 40 0 DCABHN Cn1ccnc1CN1CCc2[nH]nc(C(=O)N3CC=CC3)c2C1 ZINC000096187394 395747977 /nfs/dbraw/zinc/74/79/77/395747977.db2.gz PEWUMCZXFJSSKV-UHFFFAOYSA-N 0 3 312.377 0.714 40 0 DCABHN COCCN1CC[C@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096062318 395741861 /nfs/dbraw/zinc/74/18/61/395741861.db2.gz WERXIRSSMGCPHI-CQSZACIVSA-N 0 3 318.439 0.149 40 0 DCABHN CS(=O)(=O)NC[C@]12COC[C@H]1CN(CCc1ccccc1)C2 ZINC000096108340 395744950 /nfs/dbraw/zinc/74/49/50/395744950.db2.gz ZYEFULFLQVPQMT-CVEARBPZSA-N 0 3 324.446 0.727 40 0 DCABHN Cn1cc([C@@H]2CC(=O)NC23CCN([C@@H]2CCOC2)CC3)cn1 ZINC000096199827 395749029 /nfs/dbraw/zinc/74/90/29/395749029.db2.gz FPLNFVWQQSMKNE-KGLIPLIRSA-N 0 3 304.394 0.647 40 0 DCABHN O=S(=O)(C1CC1)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]2C1 ZINC000096205893 395749562 /nfs/dbraw/zinc/74/95/62/395749562.db2.gz TZOVGVYBLZEWKO-TZMCWYRMSA-N 0 3 300.424 0.521 40 0 DCABHN Cn1nccc1CN1CCC2(CC(NS(C)(=O)=O)C2)CC1 ZINC000108525780 395790200 /nfs/dbraw/zinc/79/02/00/395790200.db2.gz OWALLSVHUAWRPN-UHFFFAOYSA-N 0 3 312.439 0.714 40 0 DCABHN CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)CN ZINC000218193125 395842357 /nfs/dbraw/zinc/84/23/57/395842357.db2.gz VXDGQQJHJDKERH-DCAQKATOSA-N 0 3 319.224 0.616 40 0 DCABHN Cc1nc([C@@H]2COCCN2C(=O)C2CC[NH+](C)CC2)cc(=O)[n-]1 ZINC000257223211 396040361 /nfs/dbraw/zinc/04/03/61/396040361.db2.gz DWKDRXYVUPNILE-AWEZNQCLSA-N 0 3 320.393 0.732 40 0 DCABHN CN1CCN(C[C@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000257257908 396044497 /nfs/dbraw/zinc/04/44/97/396044497.db2.gz KROZJXWNLYDBRT-INIZCTEOSA-N 0 3 321.425 0.014 40 0 DCABHN CN(C)C(=O)CN1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099660 396639171 /nfs/dbraw/zinc/63/91/71/396639171.db2.gz VDBWXSJNZNAZQQ-HNNXBMFYSA-N 0 3 322.434 0.656 40 0 DCABHN C[C@H](C(=O)NCCN(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000010111573 298153643 /nfs/dbraw/zinc/15/36/43/298153643.db2.gz HHBHYXWSIOZPCT-GFCCVEGCSA-N 0 3 313.423 0.519 40 0 DCABHN Cc1nccn1CCNC(=O)c1cncc([C@H]2CCCN2)n1 ZINC000072365692 191133883 /nfs/dbraw/zinc/13/38/83/191133883.db2.gz QOTLCLNPUUMFRB-GFCCVEGCSA-N 0 3 300.366 0.836 40 0 DCABHN CN(C)C(=O)c1cccc(C[C@H]2COCCN(CCO)C2)n1 ZINC000072381115 191142295 /nfs/dbraw/zinc/14/22/95/191142295.db2.gz MIPOWLALCFUJHY-CYBMUJFWSA-N 0 3 307.394 0.267 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n(C)n2)C[C@H]1O ZINC000257276273 203003513 /nfs/dbraw/zinc/00/35/13/203003513.db2.gz NTBJLUBAHNWWML-RKDXNWHRSA-N 0 3 306.288 0.186 40 0 DCABHN O=C1CO[C@H]2CCN(Cc3cccc(OCCO)c3)CC[C@@H]2N1 ZINC000257308850 203035135 /nfs/dbraw/zinc/03/51/35/203035135.db2.gz TYKATVDCYGOWOR-HOTGVXAUSA-N 0 3 320.389 0.537 40 0 DCABHN CN1CCN(C(=O)CCc2ccccc2F)C[C@@H](C(N)=O)C1 ZINC000257334787 203056016 /nfs/dbraw/zinc/05/60/16/203056016.db2.gz YHJYNLVVSOGJCX-ZDUSSCGKSA-N 0 3 307.369 0.634 40 0 DCABHN CN1CCN([C@H]2CCN(C(=O)c3cscn3)CC[C@@H]2O)CC1 ZINC000257338236 203060650 /nfs/dbraw/zinc/06/06/50/203060650.db2.gz YWNUAMYYOCMANJ-KBPBESRZSA-N 0 3 324.450 0.356 40 0 DCABHN O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H]1CC(=O)N2CCN1CCCC1 ZINC000096183938 296246725 /nfs/dbraw/zinc/24/67/25/296246725.db2.gz UQKFSIQDNMFPPC-CABCVRRESA-N 0 3 316.405 0.926 40 0 DCABHN CC(=O)N1C[C@@H]2CN(C3CCCCC3)CCN2[C@](C)(CO)C1 ZINC000514288335 257216542 /nfs/dbraw/zinc/21/65/42/257216542.db2.gz LZAWRUNLKWDHJG-IRXDYDNUSA-N 0 3 309.454 0.918 40 0 biogenic,in-vitro DCABHN CCN(CC)CCOC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000001748019 395681087 /nfs/dbraw/zinc/68/10/87/395681087.db2.gz LDAMQAZOZRFNKL-UHFFFAOYSA-N 0 3 300.380 0.833 40 0 DCABHN Cn1cc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CNC(=O)C3CC3)C2)cn1 ZINC000096187321 395747997 /nfs/dbraw/zinc/74/79/97/395747997.db2.gz DNVXGQRWMCVFRB-BZUAXINKSA-N 0 3 318.421 0.783 40 0 DCABHN CCS(=O)(=O)N1CCOC[C@]2(CCN(CCOC)C2)C1 ZINC000096087606 395743995 /nfs/dbraw/zinc/74/39/95/395743995.db2.gz GWFCCZIXJTWFFF-ZDUSSCGKSA-N 0 3 306.428 0.007 40 0 DCABHN OCCN1CCOC[C@]2(C[C@@H](CNc3ccccn3)CO2)C1 ZINC000096240673 395751112 /nfs/dbraw/zinc/75/11/12/395751112.db2.gz WCVQPAPZPRKBSH-HOCLYGCPSA-N 0 3 307.394 0.593 40 0 DCABHN CN(C)C[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000257227793 396040808 /nfs/dbraw/zinc/04/08/08/396040808.db2.gz FQXKBYWBJZQNSY-ZDUSSCGKSA-N 0 3 320.361 0.652 40 0 DCABHN COc1ccc([C@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1 ZINC000095533700 415562554 /nfs/dbraw/zinc/56/25/54/415562554.db2.gz PGJYGSIECMJSKS-HNNXBMFYSA-N 0 3 317.393 0.736 40 0 DCABHN CCOC[C@@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)N1C ZINC000096207067 415578530 /nfs/dbraw/zinc/57/85/30/415578530.db2.gz AVTOHHVHEGDGNU-ZDUSSCGKSA-N 0 3 319.471 0.758 40 0 DCABHN Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257272041 416335008 /nfs/dbraw/zinc/33/50/08/416335008.db2.gz NAVYWURETKGKFM-LBPRGKRZSA-N 0 3 300.384 0.152 40 0 DCABHN CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CCOC3)C2)C1=O ZINC000096073946 289156690 /nfs/dbraw/zinc/15/66/90/289156690.db2.gz TUKHRMPRMOQCCX-PBHICJAKSA-N 0 3 323.437 0.426 40 0 DCABHN CN(C)c1cnnc(N2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000224310632 333408317 /nfs/dbraw/zinc/40/83/17/333408317.db2.gz WSRAQFBPIFCHRP-UHFFFAOYSA-N 0 3 312.377 0.900 40 0 DCABHN CC(C)(N)C(=O)N1CCC[C@]2(Cc3c(nc(N)nc3N)O2)CC1 ZINC000257299176 203023266 /nfs/dbraw/zinc/02/32/66/203023266.db2.gz RPAHIXLXPYLHOR-OAHLLOKOSA-N 0 3 320.397 0.065 40 0 DCABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)CC3CC3)C2)CC1 ZINC000257303623 203028663 /nfs/dbraw/zinc/02/86/63/203028663.db2.gz SHYWBKKWHVSCDS-KRWDZBQOSA-N 0 3 323.437 0.350 40 0 DCABHN CN1CCN(C(=O)CCc2ccccc2F)C[C@H](C(N)=O)C1 ZINC000257334786 203056724 /nfs/dbraw/zinc/05/67/24/203056724.db2.gz YHJYNLVVSOGJCX-CYBMUJFWSA-N 0 3 307.369 0.634 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2sc(C)nc2C)C1 ZINC000257318049 203044060 /nfs/dbraw/zinc/04/40/60/203044060.db2.gz VMFZTOKYQDSWDH-LBPRGKRZSA-N 0 3 324.450 0.439 40 0 DCABHN CC(=O)NC1(C(=N)NO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000070453702 257128098 /nfs/dbraw/zinc/12/80/98/257128098.db2.gz QUTOSPGTSKGXSY-UHFFFAOYSA-N 0 3 300.359 0.848 40 0 DCABHN N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O ZINC000012483466 395687712 /nfs/dbraw/zinc/68/77/12/395687712.db2.gz MSJXHALFCRWCRW-HSFUPAIVSA-N 0 3 318.417 0.753 40 0 biogenic,in-vitro DCABHN CNCc1cc(NC)nc([C@@H]2CCCN2CC(=O)N(C)C)n1 ZINC000019760394 395691052 /nfs/dbraw/zinc/69/10/52/395691052.db2.gz QVBAAWYVGXYQHT-LBPRGKRZSA-N 0 3 306.414 0.463 40 0 DCABHN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN(CCO)CCO ZINC000033534712 395716884 /nfs/dbraw/zinc/71/68/84/395716884.db2.gz DDMGCGGKEMYWRP-LJIGWXMPSA-N 0 3 315.454 0.865 40 0 DCABHN CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccnnc3)C2)O1 ZINC000096160194 395746654 /nfs/dbraw/zinc/74/66/54/395746654.db2.gz AGZXWCRDUURJNE-GDBMZVCRSA-N 0 3 320.393 0.428 40 0 DCABHN CNC(=O)CN1CCCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096075253 395743077 /nfs/dbraw/zinc/74/30/77/395743077.db2.gz WPMHAJRSHNSAGU-UHFFFAOYSA-N 0 3 317.393 0.293 40 0 DCABHN CN1CCN([C@@H]2COC3(C2)CCN(Cc2cc[nH]n2)CC3)CC1 ZINC000096074165 395743186 /nfs/dbraw/zinc/74/31/86/395743186.db2.gz XEQFOUCEDIBZQA-INIZCTEOSA-N 0 3 319.453 0.781 40 0 DCABHN Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)NC(C)C)[C@H]2O)cc1 ZINC000096111600 395744927 /nfs/dbraw/zinc/74/49/27/395744927.db2.gz IAZCPULTWSXSJM-OAGGEKHMSA-N 0 3 321.421 0.921 40 0 biogenic,in-vitro DCABHN CS(=O)(=O)c1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1 ZINC000096296265 395752338 /nfs/dbraw/zinc/75/23/38/395752338.db2.gz HGTYTRMZWHTELV-ZDUSSCGKSA-N 0 3 321.402 0.975 40 0 biogenic,in-vitro DCABHN CN1CCN(CCO)C(=O)C12CCN(Cc1cccs1)CC2 ZINC000096230091 395750380 /nfs/dbraw/zinc/75/03/80/395750380.db2.gz INZDMYVHZMVQMV-UHFFFAOYSA-N 0 3 323.462 0.849 40 0 DCABHN O=C1C[C@H]2[C@@H](CCN2Cc2ccco2)N1CCN1CCOCC1 ZINC000097954349 395761498 /nfs/dbraw/zinc/76/14/98/395761498.db2.gz YLPTWOOUHRPSQT-CVEARBPZSA-N 0 3 319.405 0.787 40 0 DCABHN CN(C)CCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223975610 395857481 /nfs/dbraw/zinc/85/74/81/395857481.db2.gz GLZGTCKVOPQYQW-UHFFFAOYSA-N 0 3 313.423 0.126 40 0 DCABHN CN(C)C(=O)CO[C@@H]1CSC2(CN(C3CCOCC3)C2)C1 ZINC000248067052 395982468 /nfs/dbraw/zinc/98/24/68/395982468.db2.gz ZZYUKIGXZFESKO-ZDUSSCGKSA-N 0 3 314.451 0.830 40 0 DCABHN O=C(c1ccc2[nH]cnc2c1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257204993 396036924 /nfs/dbraw/zinc/03/69/24/396036924.db2.gz AXDXEGJMCUFBJW-HUUCEWRRSA-N 0 3 300.362 0.844 40 0 DCABHN Cc1cc(C)n2ncc(CN3CCN(C)C[C@@H](C(N)=O)C3)c2n1 ZINC000257250926 396043636 /nfs/dbraw/zinc/04/36/36/396043636.db2.gz JOPCMZXTSKQWCZ-CQSZACIVSA-N 0 3 316.409 0.195 40 0 DCABHN CCOCC(=O)N1CCC2(CC1)COCCN2CCN(C)C ZINC000096226187 286021368 /nfs/dbraw/zinc/02/13/68/286021368.db2.gz NXSFFUGYPOIBSH-UHFFFAOYSA-N 0 3 313.442 0.278 40 0 DCABHN CS(=O)(=O)N[C@@H]1COC[C@@H]2CN(Cc3cccs3)C[C@@H]21 ZINC000107203750 415661120 /nfs/dbraw/zinc/66/11/20/415661120.db2.gz YFJDZYAQZZVRRB-WCFLWFBJSA-N 0 3 316.448 0.744 40 0 DCABHN CN(C)Cc1cc(=O)n2c(n1)CN(Cc1cnn(C)c1)CCC2 ZINC000096059563 282144756 /nfs/dbraw/zinc/14/47/56/282144756.db2.gz FHQUTJZNQJYRGD-UHFFFAOYSA-N 0 3 316.409 0.444 40 0 DCABHN CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000306135654 231088476 /nfs/dbraw/zinc/08/84/76/231088476.db2.gz OWWIUUODHDVGBO-ZDUSSCGKSA-N 0 3 313.427 0.142 40 0 DCABHN Cc1cc(Nc2ncccn2)nc([C@H]2CCN(C(=O)CN)C2)n1 ZINC000072382990 191142982 /nfs/dbraw/zinc/14/29/82/191142982.db2.gz LOVOBHYYERYHBL-NSHDSACASA-N 0 3 313.365 0.593 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2cccnc2)C1 ZINC000257275903 203004932 /nfs/dbraw/zinc/00/49/32/203004932.db2.gz NRLPKZZLMUPHBP-AWEZNQCLSA-N 0 3 304.394 0.150 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000257295532 203021584 /nfs/dbraw/zinc/02/15/84/203021584.db2.gz QYSNWERIAGLEDN-GFCCVEGCSA-N 0 3 320.315 0.427 40 0 DCABHN CC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257295150 203020326 /nfs/dbraw/zinc/02/03/26/203020326.db2.gz QXENVAXQSFXUBU-NCOADZHNSA-N 0 3 319.405 0.953 40 0 DCABHN CCN(CC)C[C@@H]1OC[C@@H](NC(=O)Nc2cccnc2)[C@H]1O ZINC000514289306 257216705 /nfs/dbraw/zinc/21/67/05/257216705.db2.gz PSESWXOMBDQSJC-HZSPNIEDSA-N 0 3 308.382 0.673 40 0 biogenic,in-vitro DCABHN CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2N1C(C)=O ZINC000096182729 395747442 /nfs/dbraw/zinc/74/74/42/395747442.db2.gz XSXLRNAZFCNZSO-OAGGEKHMSA-N 0 3 301.390 0.854 40 0 DCABHN O=C(c1n[nH]c2c1CN([C@H]1CCOC1)CC2)N1CCOCC1 ZINC000096187404 395747948 /nfs/dbraw/zinc/74/79/48/395747948.db2.gz JFMORQHEILVLGS-NSHDSACASA-N 0 3 306.366 0.029 40 0 DCABHN CN(C)CCN1CCOC[C@@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049770 395741734 /nfs/dbraw/zinc/74/17/34/395741734.db2.gz IFYZKKREKIFVBZ-KRWDZBQOSA-N 0 3 323.437 0.744 40 0 DCABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccnnc1 ZINC000096065754 395742692 /nfs/dbraw/zinc/74/26/92/395742692.db2.gz NQCICPMDTJLTID-RRFJBIMHSA-N 0 3 320.393 0.427 40 0 DCABHN COc1ccccc1OCC(=O)N1C[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096107952 395744513 /nfs/dbraw/zinc/74/45/13/395744513.db2.gz VCFHXBGPMRDLNB-XJKSGUPXSA-N 0 3 320.389 0.863 40 0 DCABHN CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1ccncc1)C2 ZINC000096108699 395745061 /nfs/dbraw/zinc/74/50/61/395745061.db2.gz XNTWRIIIDSIQPG-WBVHZDCISA-N 0 3 319.405 0.635 40 0 DCABHN Cn1cc(CN2C[C@@H]3C(=O)N(Cc4ccncc4)C[C@@H]3C2)cn1 ZINC000096245143 395751549 /nfs/dbraw/zinc/75/15/49/395751549.db2.gz RSOAFPZRQJUSDB-HOTGVXAUSA-N 0 3 311.389 0.906 40 0 DCABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)CC[C@H]21 ZINC000247946949 395980420 /nfs/dbraw/zinc/98/04/20/395980420.db2.gz BCMPYLDEQWLUQO-CABCVRRESA-N 0 3 321.425 0.277 40 0 DCABHN COC[C@@H]1CC2(CN1C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096208622 415575175 /nfs/dbraw/zinc/57/51/75/415575175.db2.gz AKRQAKKPCKJJPZ-LBPRGKRZSA-N 0 3 305.444 0.226 40 0 DCABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)C1CC1 ZINC000096056484 289151718 /nfs/dbraw/zinc/15/17/18/289151718.db2.gz IGPFACLXGFEIFZ-CHWSQXEVSA-N 0 3 315.439 0.106 40 0 DCABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(OC)c1 ZINC000298124720 529102447 /nfs/dbraw/zinc/10/24/47/529102447.db2.gz VYMMXWCPCTWWFG-AWEZNQCLSA-N 0 3 319.405 0.912 40 0 DCABHN NCC(=O)N1CCC[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000072360873 191132211 /nfs/dbraw/zinc/13/22/11/191132211.db2.gz WVFDCMRDQWVAAU-NSHDSACASA-N 0 3 313.365 0.675 40 0 DCABHN COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 ZINC000005699865 181273961 /nfs/dbraw/zinc/27/39/61/181273961.db2.gz LHTAJTFGGUDLRH-QMVVXIJUSA-N 0 3 317.385 0.840 40 0 world DCABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)C1=Cc2ccccc2OC1 ZINC000257304753 203029828 /nfs/dbraw/zinc/02/98/28/203029828.db2.gz SNALPCDDVYZXEP-KGLIPLIRSA-N 0 3 315.373 0.255 40 0 DCABHN COC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133814 257130690 /nfs/dbraw/zinc/13/06/90/257130690.db2.gz FZKSKURBGOAIMN-MELADBBJSA-N 0 3 313.375 0.517 40 0 DCABHN CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccnnc3)C2)O1 ZINC000096160199 395746856 /nfs/dbraw/zinc/74/68/56/395746856.db2.gz AGZXWCRDUURJNE-ZBFHGGJFSA-N 0 3 320.393 0.428 40 0 DCABHN CSCC[C@H](N)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000135634429 395941923 /nfs/dbraw/zinc/94/19/23/395941923.db2.gz ZMSKGTWYKHTIRQ-XQQFMLRXSA-N 0 3 321.446 0.874 40 0 DCABHN CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000585288868 396647500 /nfs/dbraw/zinc/64/75/00/396647500.db2.gz BDBHDUVYABCMDK-HSOWXULUSA-N 0 3 319.405 0.976 40 0 DCABHN C[NH+](C)C[C@H]1CCn2nccc2CN1C(=O)c1cc(=O)[n-]cn1 ZINC000585097851 396639296 /nfs/dbraw/zinc/63/92/96/396639296.db2.gz RXSFMAULCKCITG-LLVKDONJSA-N 0 3 316.365 0.355 40 0 DCABHN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN(CCO)CCO)C2 ZINC000009970716 415144443 /nfs/dbraw/zinc/14/44/43/415144443.db2.gz YFIFEYBQMMKHOO-ANQUJSFKSA-N 0 3 315.454 0.865 40 0 DCABHN CC(=O)N1CCC(O)(CN2CCC(c3noc(C)n3)CC2)CC1 ZINC000072367445 415413025 /nfs/dbraw/zinc/41/30/25/415413025.db2.gz YVASGPIEGTVOET-UHFFFAOYSA-N 0 3 322.409 0.931 40 0 DCABHN COCCN1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC000096201419 277219917 /nfs/dbraw/zinc/21/99/17/277219917.db2.gz YKKFTDIQTZWPAK-UHFFFAOYSA-N 0 3 319.405 0.921 40 0 DCABHN CN(C)CCOCc1ncn2c1CN(S(C)(=O)=O)CCC2 ZINC000096085055 282109264 /nfs/dbraw/zinc/10/92/64/282109264.db2.gz LTSGRISSRATLPN-UHFFFAOYSA-N 0 3 316.427 0.127 40 0 DCABHN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)CN)n1 ZINC000072360893 191132070 /nfs/dbraw/zinc/13/20/70/191132070.db2.gz LJWQVKYHJYEYGR-LBPRGKRZSA-N 0 3 313.365 0.941 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000257305533 203029006 /nfs/dbraw/zinc/02/90/06/203029006.db2.gz SQLWANRBGFHXKP-INIZCTEOSA-N 0 3 315.377 0.406 40 0 DCABHN CN1CCN([C@H]2CCN(C(=O)c3ccccc3)CC[C@@H]2O)CC1 ZINC000257304944 203029009 /nfs/dbraw/zinc/02/90/09/203029009.db2.gz SNVFNPWKUYKCJO-IRXDYDNUSA-N 0 3 317.433 0.900 40 0 DCABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccn(C)n2)c1 ZINC000257330321 203053822 /nfs/dbraw/zinc/05/38/22/203053822.db2.gz XNWIMUYYXPEHBL-MRXNPFEDSA-N 0 3 313.405 0.926 40 0 DCABHN O=C(N[C@@H]1CN(C2CCCCCC2)C[C@H]1O)c1cnccn1 ZINC000257332986 203054922 /nfs/dbraw/zinc/05/49/22/203054922.db2.gz XZOCAZURJHJIIH-HUUCEWRRSA-N 0 3 304.394 0.974 40 0 DCABHN COCCN1CCCc2sc(C(=O)NCCN(C)C)nc21 ZINC000096146822 193552011 /nfs/dbraw/zinc/55/20/11/193552011.db2.gz CNPVZPVSQPPBMO-UHFFFAOYSA-N 0 3 312.439 0.834 40 0 DCABHN CN1C[C@@]2(CC1=O)CNCCN(C(=O)Nc1ccccc1)C2 ZINC000105040407 194066638 /nfs/dbraw/zinc/06/66/38/194066638.db2.gz DIZQCQZXMSVNIH-MRXNPFEDSA-N 0 3 302.378 0.972 40 0 DCABHN COCCC(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257284239 256621017 /nfs/dbraw/zinc/62/10/17/256621017.db2.gz PBVQBAIYKGUAFF-CYBMUJFWSA-N 0 3 306.353 0.717 40 0 DCABHN CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)CN ZINC000218192919 257130341 /nfs/dbraw/zinc/13/03/41/257130341.db2.gz VXDGQQJHJDKERH-MXWKQRLJSA-N 0 3 319.224 0.616 40 0 DCABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)C1(CN)CN ZINC000218144169 257130801 /nfs/dbraw/zinc/13/08/01/257130801.db2.gz HUUCMBCUMFBAET-QWHCGFSZSA-N 0 3 312.391 0.220 40 0 DCABHN O=C(NCCCN[C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000217345099 257132653 /nfs/dbraw/zinc/13/26/53/257132653.db2.gz ADOOGJKDKSFSRL-ZDUSSCGKSA-N 0 3 302.440 0.850 40 0 DCABHN C[NH+]1CCC2(CC1)C(=O)N([N-]C(N)=O)C(=O)[C@H]2c1ccccc1 ZINC000005954618 395682877 /nfs/dbraw/zinc/68/28/77/395682877.db2.gz GOUUWWGKEDNESJ-GFCCVEGCSA-N 0 3 316.361 0.434 40 0 DCABHN Cn1cc(C(=O)N[C@H]2CN(CC3CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC000096186878 395747822 /nfs/dbraw/zinc/74/78/22/395747822.db2.gz JIBPPXJPPUBXQQ-RRFJBIMHSA-N 0 3 304.394 0.792 40 0 DCABHN Cn1cc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)cn1 ZINC000096064493 395742708 /nfs/dbraw/zinc/74/27/08/395742708.db2.gz JKKJDTFQLSTFDW-RBSFLKMASA-N 0 3 320.393 0.278 40 0 DCABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2 ZINC000096108399 395745087 /nfs/dbraw/zinc/74/50/87/395745087.db2.gz HJMPLSVDLVEILJ-ZBFHGGJFSA-N 0 3 305.378 0.293 40 0 DCABHN OC[C@H]1C[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H]1O ZINC000225502936 395861768 /nfs/dbraw/zinc/86/17/68/395861768.db2.gz UXDKQLZPANZOQB-JHEVNIALSA-N 0 3 321.295 0.777 40 0 biogenic,in-vitro DCABHN CN(C)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O ZINC000257223609 396040181 /nfs/dbraw/zinc/04/01/81/396040181.db2.gz DYCOBNRHHTZVOI-HUUCEWRRSA-N 0 3 302.378 0.560 40 0 DCABHN CC(C)n1nccc1CN1CCN(C)C[C@@H](C(=O)N(C)C)C1 ZINC000257225279 396040261 /nfs/dbraw/zinc/04/02/61/396040261.db2.gz FFOMPIXBONROSB-CQSZACIVSA-N 0 3 307.442 0.916 40 0 DCABHN CO[C@@H]1CCN(Cc2cnc[nH]2)C[C@H]1CC(=O)N1CCOCC1 ZINC000585273888 396643011 /nfs/dbraw/zinc/64/30/11/396643011.db2.gz FPMLJCOCPUAYMN-UKRRQHHQSA-N 0 3 322.409 0.496 40 0 DCABHN CCN1C[C@@]2(CC1=O)CN(CC1CC1)CCN(C(=O)N(C)C)C2 ZINC000096036236 415573169 /nfs/dbraw/zinc/57/31/69/415573169.db2.gz BOGAZACDONXBEE-QGZVFWFLSA-N 0 3 322.453 0.934 40 0 DCABHN O=C([C@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)N1CCOCC1 ZINC000096040715 415573307 /nfs/dbraw/zinc/57/33/07/415573307.db2.gz KWRUUGWVWPPJQM-BMFZPTHFSA-N 0 3 320.389 0.833 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)CCN2CCc3ccccc32)C[C@H]1O ZINC000257271281 416334873 /nfs/dbraw/zinc/33/48/73/416334873.db2.gz MXRDAKIVIGDJKL-HZPDHXFCSA-N 0 3 303.406 0.573 40 0 DCABHN CN(CC(=O)N1CCO[C@@H](c2nccnc2N)C1)C1CCCC1 ZINC000257265701 416334960 /nfs/dbraw/zinc/33/49/60/416334960.db2.gz LZXURFSWFNFNTJ-CYBMUJFWSA-N 0 3 319.409 0.833 40 0 DCABHN COCCC(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257284240 277201999 /nfs/dbraw/zinc/20/19/99/277201999.db2.gz PBVQBAIYKGUAFF-ZDUSSCGKSA-N 0 3 306.353 0.717 40 0 DCABHN CN(C)C(=O)[C@@H]1CN(C)C[C@]12CCc1ccccc1C(=O)N2 ZINC000019587065 289007591 /nfs/dbraw/zinc/00/75/91/289007591.db2.gz PVYVZMLBQPEDLW-WMLDXEAASA-N 0 3 301.390 0.751 40 0 DCABHN COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H]([C@@H]2O)N(C)CC[C@]314 ZINC000001691669 295278561 /nfs/dbraw/zinc/27/85/61/295278561.db2.gz ZDGQZOCAKDGPRA-DORTWPHOSA-N 0 3 315.369 0.992 40 0 DCABHN O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1CCCCN1[C@]21C(=O)Nc2ccccc21 ZINC000103020874 1176021574 /nfs/dbraw/zinc/02/15/74/1176021574.db2.gz RIMRKBFTWVRAFJ-XREXNNHRSA-N 0 3 311.341 0.591 40 0 DCABHN CN(CCO)C(=O)CCc1cnc(C2CCN(C)CC2)cn1 ZINC000072366470 191136132 /nfs/dbraw/zinc/13/61/32/191136132.db2.gz RTLQFXIKAAFHBB-UHFFFAOYSA-N 0 3 306.410 0.669 40 0 DCABHN CC(C)(C)c1cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)[nH]n1 ZINC000257343471 203065378 /nfs/dbraw/zinc/06/53/78/203065378.db2.gz ZTDTVOQIQUZMDV-CHWSQXEVSA-N 0 3 306.410 0.988 40 0 DCABHN Cn1cc(CN2C[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)cn1 ZINC000096182293 395747201 /nfs/dbraw/zinc/74/72/01/395747201.db2.gz SHXWIHZEXYXNLI-OKILXGFUSA-N 0 3 312.377 0.414 40 0 DCABHN O=C(N[C@@H]1CN(C[C@H]2CCOC2)[C@@H]2CCCO[C@H]12)c1ccno1 ZINC000096185948 395748057 /nfs/dbraw/zinc/74/80/57/395748057.db2.gz UPZYMIGPFFCLMH-RGCMKSIDSA-N 0 3 321.377 0.673 40 0 DCABHN c1ncn(Cc2cnc3n2CCN(Cc2ccncc2)CC3)n1 ZINC000096196990 395748489 /nfs/dbraw/zinc/74/84/89/395748489.db2.gz DOFHTFPXLXRNJZ-UHFFFAOYSA-N 0 3 309.377 0.976 40 0 DCABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cnn(C)c1)CC[C@@H]2OC ZINC000096111069 395744752 /nfs/dbraw/zinc/74/47/52/395744752.db2.gz GARURFQYOYLGHD-ZNMIVQPWSA-N 0 3 322.409 0.228 40 0 DCABHN CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@H](N3CCCC3)C2)C1 ZINC000245399127 395928124 /nfs/dbraw/zinc/92/81/24/395928124.db2.gz VSXCBFZUXDQQGI-JKSUJKDBSA-N 0 3 322.453 0.284 40 0 DCABHN O=S(=O)(c1cccs1)N1CC[C@](O)(CN2CCCC2)C1 ZINC000257214376 396038261 /nfs/dbraw/zinc/03/82/61/396038261.db2.gz CLTGUVVSGIKJTI-ZDUSSCGKSA-N 0 3 316.448 0.969 40 0 DCABHN Cc1noc(C)c1CCC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257261471 396044447 /nfs/dbraw/zinc/04/44/47/396044447.db2.gz LHLMRPDBJFBXNP-HUUCEWRRSA-N 0 3 307.394 0.892 40 0 DCABHN CN(C)C(=O)CN1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099661 396639279 /nfs/dbraw/zinc/63/92/79/396639279.db2.gz VDBWXSJNZNAZQQ-OAHLLOKOSA-N 0 3 322.434 0.656 40 0 DCABHN COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096038701 415570616 /nfs/dbraw/zinc/57/06/16/415570616.db2.gz SDYQTTVDKUGQNL-NVXWUHKLSA-N 0 3 319.405 0.825 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)CCn2ncc3ccccc32)C[C@H]1O ZINC000257284315 416335025 /nfs/dbraw/zinc/33/50/25/416335025.db2.gz PCFCDJDRICVURJ-HUUCEWRRSA-N 0 3 302.378 0.560 40 0 DCABHN COCCN1CC[C@@]2(C1)COCCN(Cc1cnn(C)c1)C2 ZINC000096062296 277226287 /nfs/dbraw/zinc/22/62/87/277226287.db2.gz LROAZFVIKLMTLN-INIZCTEOSA-N 0 3 308.426 0.591 40 0 DCABHN CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cccn3C)C2)O1 ZINC000248129756 289213482 /nfs/dbraw/zinc/21/34/82/289213482.db2.gz PXYUDLQUTHLORH-RHSMWYFYSA-N 0 3 321.421 0.977 40 0 DCABHN CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCCO1)CCC2 ZINC000096044215 289223271 /nfs/dbraw/zinc/22/32/71/289223271.db2.gz OGDSCBMPSHWUIH-CYBMUJFWSA-N 0 3 320.393 0.216 40 0 DCABHN CN(CCC(=O)N1CCO[C@](C)(C(N)=O)C1)Cc1cccnc1 ZINC000072379794 191142743 /nfs/dbraw/zinc/14/27/43/191142743.db2.gz BCQFLNOHKQDTKB-INIZCTEOSA-N 0 3 320.393 0.006 40 0 DCABHN Cc1nc(C(=O)N2CCN(C)CC2)cc(C2CCN(C)CC2)n1 ZINC000072382859 191142810 /nfs/dbraw/zinc/14/28/10/191142810.db2.gz XTZFHSIFHJVGGA-UHFFFAOYSA-N 0 3 317.437 0.982 40 0 DCABHN NC(=O)[C@@H](N)CCC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000006575387 181356012 /nfs/dbraw/zinc/35/60/12/181356012.db2.gz XZPWKRZDRFWUGL-WDEREUQCSA-N 0 3 306.391 0.259 40 0 DCABHN CN1CCN(C(=O)c2cncc([C@H]3CCCN(C)C3)n2)CC1 ZINC000257275277 203003668 /nfs/dbraw/zinc/00/36/68/203003668.db2.gz NOQVLLCMVZPAJR-ZDUSSCGKSA-N 0 3 303.410 0.673 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC000257310145 203034229 /nfs/dbraw/zinc/03/42/29/203034229.db2.gz UDVQKERCHAJJPI-LBPRGKRZSA-N 0 3 320.315 0.578 40 0 DCABHN CN(C)Cc1cnc([C@H]2CCN(C(=O)c3cnccn3)C2)[nH]1 ZINC000257328078 203051420 /nfs/dbraw/zinc/05/14/20/203051420.db2.gz XEAIYQAHSFOMHP-NSHDSACASA-N 0 3 300.366 0.891 40 0 DCABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1ncc[nH]1)C2)[C@H]3O ZINC000257317952 203043217 /nfs/dbraw/zinc/04/32/17/203043217.db2.gz VLWPOSSSYNIFIR-BLXSCJOCSA-N 0 3 304.394 0.715 40 0 DCABHN O=C(CNCCN1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000035311461 395720324 /nfs/dbraw/zinc/72/03/24/395720324.db2.gz MFZYJVKEPLWWQQ-UHFFFAOYSA-N 0 3 307.350 0.276 40 0 DCABHN O=C(c1cnc2sccn2c1=O)N1CCN2CCC[C@H]2C1 ZINC000028232883 395695958 /nfs/dbraw/zinc/69/59/58/395695958.db2.gz ITDDXYYHEOOJKR-JTQLQIEISA-N 0 3 304.375 0.676 40 0 DCABHN c1cnc(N2CCOC3(CCN([C@H]4CCOC4)CC3)C2)nc1 ZINC000096159051 395746835 /nfs/dbraw/zinc/74/68/35/395746835.db2.gz VVAWVFMZSWJLHN-AWEZNQCLSA-N 0 3 304.394 0.937 40 0 DCABHN CNC(=O)CO[C@@H]1COC2(C1)CCN(Cc1[nH]cnc1C)CC2 ZINC000096073120 395743249 /nfs/dbraw/zinc/74/32/49/395743249.db2.gz QREXWGFQDQDOAE-ZDUSSCGKSA-N 0 3 322.409 0.604 40 0 DCABHN CCN1CCOC[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000096076505 395743553 /nfs/dbraw/zinc/74/35/53/395743553.db2.gz PZRUSQLLRPCKLQ-MRXNPFEDSA-N 0 3 306.410 0.995 40 0 DCABHN O=C(c1cnc(C2CC2)nc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257250387 396043741 /nfs/dbraw/zinc/04/37/41/396043741.db2.gz JMIMGNBEKKVKQS-ZIAGYGMSSA-N 0 3 302.378 0.635 40 0 DCABHN CN(C)C[C@H]1CCC[C@]2(CCN(S(=O)(=O)N(C)C)C2)O1 ZINC000096208511 289211975 /nfs/dbraw/zinc/21/19/75/289211975.db2.gz LBLSBDVRVOKOHS-CHWSQXEVSA-N 0 3 305.444 0.368 40 0 DCABHN O=C([C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21)N1CCCO1 ZINC000096038649 415571251 /nfs/dbraw/zinc/57/12/51/415571251.db2.gz PEHUHOJMVQTNBU-BZUAXINKSA-N 0 3 317.389 0.940 40 0 DCABHN COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3cnn(C)c3)CC[C@H]12 ZINC000096041102 415572784 /nfs/dbraw/zinc/57/27/84/415572784.db2.gz XCZHNUGMDLIFMR-RBSFLKMASA-N 0 3 306.410 0.641 40 0 DCABHN C(C1CCOCC1)N1C[C@@H]2[C@H](C1)OCCN2C[C@@H]1CCCO1 ZINC000096054352 415576701 /nfs/dbraw/zinc/57/67/01/415576701.db2.gz MFQOTAOBRCQAAJ-BBWFWOEESA-N 0 3 310.438 0.977 40 0 DCABHN CN(C)CCOC[C@H]1CN(C(=O)CC2CC2)Cc2nnn(C)c21 ZINC000096045460 415576938 /nfs/dbraw/zinc/57/69/38/415576938.db2.gz CFWGROHUAIYUJX-CYBMUJFWSA-N 0 3 321.425 0.619 40 0 DCABHN CCNc1nc(NCCN2CCN(C)CC2)cc(C2CC2)n1 ZINC000328972084 416143689 /nfs/dbraw/zinc/14/36/89/416143689.db2.gz DSUVMQKKEKATTB-UHFFFAOYSA-N 0 3 304.442 0.289 40 0 DCABHN O=S1(=O)C[C@H](O)[C@H](NCCNCc2cccc(Cl)c2)C1 ZINC000575421406 417534817 /nfs/dbraw/zinc/53/48/17/417534817.db2.gz QKOUQXKPYZDAAX-OLZOCXBDSA-N 0 3 318.826 0.177 40 0 DCABHN COCCC(=O)N1CCN(CCN(C)C)c2ncccc2C1 ZINC000096198840 277201798 /nfs/dbraw/zinc/20/17/98/277201798.db2.gz BKKNJSDLDZHOHH-UHFFFAOYSA-N 0 3 306.410 0.828 40 0 DCABHN CN(C)c1cnnc(N2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000224310459 333408311 /nfs/dbraw/zinc/40/83/11/333408311.db2.gz DXTFABSNICGALT-UHFFFAOYSA-N 0 3 313.365 0.295 40 0 DCABHN O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cccnc1 ZINC000952844907 768909953 /nfs/dbraw/zinc/90/99/53/768909953.db2.gz SCBNAPCEARDTEE-ARILJUKYSA-N 0 3 302.334 0.094 40 0 biogenic,in-vitro DCABHN CN1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306135859 529811953 /nfs/dbraw/zinc/81/19/53/529811953.db2.gz PDGYDSHBNLAFEY-HNNXBMFYSA-N 0 3 318.402 0.492 40 0 DCABHN CNCC(=O)N1CCC[C@H]1c1cncc(CCC(=O)N(C)C)n1 ZINC000072367003 191137849 /nfs/dbraw/zinc/13/78/49/191137849.db2.gz BVHYDGFGWIYKJU-AWEZNQCLSA-N 0 3 319.409 0.380 40 0 DCABHN CN1CCN(C(=O)CCc2cc(Cl)no2)C[C@H](C(N)=O)C1 ZINC000257342398 203065437 /nfs/dbraw/zinc/06/54/37/203065437.db2.gz ZOJZSDWVFOQRNJ-SECBINFHSA-N 0 3 314.773 0.136 40 0 DCABHN CN1CCN(CCCNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000022829649 182335790 /nfs/dbraw/zinc/33/57/90/182335790.db2.gz BPGSCYMYKUKASJ-MRXNPFEDSA-N 0 3 319.405 0.580 40 0 DCABHN CCN(CC)C[C@@H]1OC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1O ZINC000514289569 257216115 /nfs/dbraw/zinc/21/61/15/257216115.db2.gz VILZPNUGEJOVRQ-HRCADAONSA-N 0 3 322.405 0.895 40 0 biogenic,in-vitro DCABHN CC[NH+](CC)CCNC(=O)c1nn(C)c(=S)[n-]c1=S ZINC000033488164 395717262 /nfs/dbraw/zinc/71/72/62/395717262.db2.gz IQVGHMVTRNDWHN-UHFFFAOYSA-N 0 3 301.441 0.905 40 0 DCABHN CN(C)CCOCc1nnc2n1CCN(Cc1ccco1)C2 ZINC000096084415 395743752 /nfs/dbraw/zinc/74/37/52/395743752.db2.gz YTTLTUQEKCXKFE-UHFFFAOYSA-N 0 3 305.382 0.965 40 0 DCABHN Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(Cc4cnn(C)c4)CC[C@H]32)n1 ZINC000096215401 395749942 /nfs/dbraw/zinc/74/99/42/395749942.db2.gz ILZNWWACULCEKT-KFWWJZLASA-N 0 3 316.409 0.926 40 0 DCABHN CN(C)C(=O)[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096224872 395750482 /nfs/dbraw/zinc/75/04/82/395750482.db2.gz XWGXAXIAANBBBN-AWEZNQCLSA-N 0 3 306.410 0.879 40 0 DCABHN CN(C)CCN1C[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1=O ZINC000096244967 395751587 /nfs/dbraw/zinc/75/15/87/395751587.db2.gz URDVRDCUPHQOEJ-OLZOCXBDSA-N 0 3 307.419 0.840 40 0 DCABHN Cc1nc2ccccn2c1CC(=O)N1C[C@@H](O)[C@H](N(C)C)C1 ZINC000257200531 396035957 /nfs/dbraw/zinc/03/59/57/396035957.db2.gz ADRZZMMNKLHCCF-ZIAGYGMSSA-N 0 3 302.378 0.319 40 0 DCABHN O=S(=O)(c1cccs1)N1CC[C@@](O)(CN2CCCC2)C1 ZINC000257214375 396037823 /nfs/dbraw/zinc/03/78/23/396037823.db2.gz CLTGUVVSGIKJTI-CYBMUJFWSA-N 0 3 316.448 0.969 40 0 DCABHN O=C(N[C@@H]1CN(CC2CCCCC2)C[C@H]1O)c1cnccn1 ZINC000257215493 396038968 /nfs/dbraw/zinc/03/89/68/396038968.db2.gz CQJGXQBKSFCOCA-HUUCEWRRSA-N 0 3 304.394 0.832 40 0 DCABHN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2CC(=O)N(C)C ZINC000585290836 396647330 /nfs/dbraw/zinc/64/73/30/396647330.db2.gz HLOGJZVUKASLHH-BLLLJJGKSA-N 0 3 311.426 0.613 40 0 DCABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1OC ZINC000298094424 415993208 /nfs/dbraw/zinc/99/32/08/415993208.db2.gz IUNJUSANADQCKX-CQSZACIVSA-N 0 3 319.405 0.912 40 0 DCABHN COCCN1CC[C@@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096062319 277226204 /nfs/dbraw/zinc/22/62/04/277226204.db2.gz WERXIRSSMGCPHI-AWEZNQCLSA-N 0 3 318.439 0.149 40 0 DCABHN CCn1cc(-c2cncn2CCN[C@H]2CCS(=O)(=O)C2)cn1 ZINC000019719596 182138447 /nfs/dbraw/zinc/13/84/47/182138447.db2.gz LRGNQHRZDWILTF-ZDUSSCGKSA-N 0 3 323.422 0.543 40 0 DCABHN COCCN1CCOC[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096049462 395740915 /nfs/dbraw/zinc/74/09/15/395740915.db2.gz HHIFVIXGAURVJK-QGZVFWFLSA-N 0 3 322.453 0.981 40 0 DCABHN O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@@H]2O1 ZINC000096065480 395742551 /nfs/dbraw/zinc/74/25/51/395742551.db2.gz HLVXCPQMYJCQBP-BPUTZDHNSA-N 0 3 307.438 0.840 40 0 DCABHN Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)cc1 ZINC000096296090 395752327 /nfs/dbraw/zinc/75/23/27/395752327.db2.gz VOJZHNZBYISHSB-OAGGEKHMSA-N 0 3 304.390 0.739 40 0 biogenic,in-vitro DCABHN Cn1cc(CN2C[C@@H]3C(=O)N(c4cnn(C)c4)C[C@@H]3C2)cn1 ZINC000096245247 395751428 /nfs/dbraw/zinc/75/14/28/395751428.db2.gz LQHXHCHRTGCZHB-JSGCOSHPSA-N 0 3 300.366 0.248 40 0 DCABHN CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)CN ZINC000218192960 395841950 /nfs/dbraw/zinc/84/19/50/395841950.db2.gz VXDGQQJHJDKERH-VWYCJHECSA-N 0 3 319.224 0.616 40 0 DCABHN NC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCC1 ZINC000257253822 396044439 /nfs/dbraw/zinc/04/44/39/396044439.db2.gz KAJYPEUCNXCJQL-MQYQWHSLSA-N 0 3 306.366 0.095 40 0 DCABHN COc1ccccc1CC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257254796 396044457 /nfs/dbraw/zinc/04/44/57/396044457.db2.gz KESQMUKSZOPQAV-HUUCEWRRSA-N 0 3 304.390 0.905 40 0 DCABHN COCC(=O)N1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096224258 292176781 /nfs/dbraw/zinc/17/67/81/292176781.db2.gz WWMUURMCWFSFAG-KRWDZBQOSA-N 0 3 323.437 0.570 40 0 DCABHN O=C([C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1)N1CCOCC1 ZINC000096041001 415572685 /nfs/dbraw/zinc/57/26/85/415572685.db2.gz TWUXQYQAPAIYGP-BPUTZDHNSA-N 0 3 324.421 0.504 40 0 DCABHN CC(C)NC(=O)N1CCC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC000096223853 415577102 /nfs/dbraw/zinc/57/71/02/415577102.db2.gz GGNSNAMXKZHBEI-MRXNPFEDSA-N 0 3 310.442 0.981 40 0 DCABHN CC(C)c1noc(CCC(=O)N2CCN(C)C[C@H](C(N)=O)C2)n1 ZINC000257332175 416335241 /nfs/dbraw/zinc/33/52/41/416335241.db2.gz XWBNZAXBCRMJFN-NSHDSACASA-N 0 3 323.397 0.001 40 0 DCABHN CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2cnc[nH]2)nn1 ZINC001549160101 1014157131 /nfs/dbraw/zinc/15/71/31/1014157131.db2.gz ALTOARPQFWTUFD-OUCADQQQSA-N 0 3 320.397 0.217 40 0 DCABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(CN)CO ZINC000218144409 257130927 /nfs/dbraw/zinc/13/09/27/257130927.db2.gz GFGHAPQXAMBNIF-MGPQQGTHSA-N 0 3 313.375 0.253 40 0 DCABHN COc1ccc([C@H](N)c2nnc(Cn3cncn3)[nH]2)cc1OC ZINC000095533830 257137090 /nfs/dbraw/zinc/13/70/90/257137090.db2.gz BZTYABBVHMZZOZ-ZDUSSCGKSA-N 0 3 315.337 0.510 40 0 DCABHN CN(C)CCN1CCO[C@H]2CN(C(=O)c3ccsc3)C[C@H]21 ZINC000096054305 395741712 /nfs/dbraw/zinc/74/17/12/395741712.db2.gz FOSPYGCFJNWSMQ-KGLIPLIRSA-N 0 3 309.435 0.835 40 0 DCABHN COCCn1cnnc1C1CN(C(=O)[C@]2(C)CCCCN2C)C1 ZINC000257240525 396041906 /nfs/dbraw/zinc/04/19/06/396041906.db2.gz HTYGERWTSJWGLY-INIZCTEOSA-N 0 3 321.425 0.725 40 0 DCABHN O=S1(=O)C[C@@H](O)[C@H](NCCNCc2cccc(Cl)c2)C1 ZINC000575421404 417535321 /nfs/dbraw/zinc/53/53/21/417535321.db2.gz QKOUQXKPYZDAAX-CHWSQXEVSA-N 0 3 318.826 0.177 40 0 DCABHN Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccn2)[C@@H]1O ZINC000952844683 768908303 /nfs/dbraw/zinc/90/83/03/768908303.db2.gz GEBCZMLZWIHHKR-DGXTUMSLSA-N 0 3 316.361 0.402 40 0 biogenic,in-vitro DCABHN COc1ccc(CC(=O)N2CC[C@](O)(CN(C)C)C2)cc1F ZINC000257298169 203022254 /nfs/dbraw/zinc/02/22/54/203022254.db2.gz RKLWENQMKGWXEV-INIZCTEOSA-N 0 3 310.369 0.902 40 0 DCABHN O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292338 182113846 /nfs/dbraw/zinc/11/38/46/182113846.db2.gz MRSKOBZLDXWAHG-KGLIPLIRSA-N 0 3 302.378 0.965 40 0 DCABHN CC(=O)OCc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)o1 ZINC000019575257 182131507 /nfs/dbraw/zinc/13/15/07/182131507.db2.gz POMUFINPAFPRKF-KWCYVHTRSA-N 0 3 308.378 0.982 40 0 DCABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1cnn(C)c1)CC[C@@H]2OC ZINC000096218801 256553634 /nfs/dbraw/zinc/55/36/34/256553634.db2.gz APBKAMNBLGXBFT-XHSDSOJGSA-N 0 3 308.426 0.588 40 0 DCABHN CCCCN(C)C[C@@H]1OC[C@H](NS(=O)(=O)CCC)[C@H]1O ZINC000514289023 257215946 /nfs/dbraw/zinc/21/59/46/257215946.db2.gz MDFVMJBUPOJHHL-RWMBFGLXSA-N 0 3 308.444 0.176 40 0 biogenic,in-vitro DCABHN CNC(=S)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000020220256 395691124 /nfs/dbraw/zinc/69/11/24/395691124.db2.gz DCWYHGBZYVUVQZ-GULBITTBSA-N 0 3 316.474 0.648 40 0 DCABHN COCCN1CC[C@]2(C1)COCCN(Cc1cnn(C)c1)C2 ZINC000096062297 395742197 /nfs/dbraw/zinc/74/21/97/395742197.db2.gz LROAZFVIKLMTLN-MRXNPFEDSA-N 0 3 308.426 0.591 40 0 DCABHN CN(C)CCN1CCO[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000096081698 395744087 /nfs/dbraw/zinc/74/40/87/395744087.db2.gz YTCSYPPZRUXRPX-CABCVRRESA-N 0 3 304.394 0.168 40 0 DCABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3cccn3C)C2)O1 ZINC000248129765 395983799 /nfs/dbraw/zinc/98/37/99/395983799.db2.gz PXYUDLQUTHLORH-YOEHRIQHSA-N 0 3 321.421 0.977 40 0 DCABHN CNc1cc(C)nc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)c1 ZINC000257257370 396044743 /nfs/dbraw/zinc/04/47/43/396044743.db2.gz KPIHTYQPZAZGIG-CYBMUJFWSA-N 0 3 314.411 0.611 40 0 DCABHN Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCN2C(=O)CN)n1 ZINC000257263489 396045577 /nfs/dbraw/zinc/04/55/77/396045577.db2.gz LQDBLQBRDAPDNK-CQSZACIVSA-N 0 3 319.409 0.428 40 0 DCABHN CO[C@@H]1CCN(C(=O)CN(C)C2CCCC2)C[C@H]1CC(N)=O ZINC000585278033 396644843 /nfs/dbraw/zinc/64/48/43/396644843.db2.gz ZYYFDOQFTBQIKC-TZMCWYRMSA-N 0 3 311.426 0.600 40 0 DCABHN CNC(=S)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000019370077 415154614 /nfs/dbraw/zinc/15/46/14/415154614.db2.gz DCWYHGBZYVUVQZ-GNHJJJEISA-N 0 3 316.474 0.648 40 0 DCABHN COCCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019593142 415154772 /nfs/dbraw/zinc/15/47/72/415154772.db2.gz GUHHIRUPVSVJGC-GFCCVEGCSA-N 0 3 304.394 0.865 40 0 DCABHN CN(C)C(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096059593 415578372 /nfs/dbraw/zinc/57/83/72/415578372.db2.gz FHZIQKYZQNUESU-UHFFFAOYSA-N 0 3 319.409 0.726 40 0 DCABHN CC(C)Cn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(C)C)C[C@H]21 ZINC000306125820 416104993 /nfs/dbraw/zinc/10/49/93/416104993.db2.gz DCYQOTMIQJZATB-STQMWFEESA-N 0 3 306.410 0.889 40 0 DCABHN COCCN1C(=O)CO[C@H]2CN(CC3(O)CCCCC3)C[C@@H]21 ZINC000257328740 277218369 /nfs/dbraw/zinc/21/83/69/277218369.db2.gz XGXDARDCBMRUGE-KBPBESRZSA-N 0 3 312.410 0.240 40 0 DCABHN C[C@@]12C[C@H]3CN(C(=O)c4cc(=O)[n-]c(N)n4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257344045 289231277 /nfs/dbraw/zinc/23/12/77/289231277.db2.gz ZVNLTBCRVGKBSO-AEPCNGEQSA-N 0 3 317.393 0.900 40 0 DCABHN O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1CCCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000227189898 1180539437 /nfs/dbraw/zinc/53/94/37/1180539437.db2.gz RIMRKBFTWVRAFJ-NEULZYRMSA-N 0 3 311.341 0.591 40 0 DCABHN COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccccc2)nn1 ZINC001549159164 1014154149 /nfs/dbraw/zinc/15/41/49/1014154149.db2.gz GDXCNNQOHLDSLB-ARFHVFGLSA-N 0 3 318.377 0.343 40 0 DCABHN CN(C)C(=O)c1cccc(C[C@@H]2COCCN(CCO)C2)n1 ZINC000072381116 191142506 /nfs/dbraw/zinc/14/25/06/191142506.db2.gz MIPOWLALCFUJHY-ZDUSSCGKSA-N 0 3 307.394 0.267 40 0 DCABHN CNCC(=O)N1CC(c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072383036 191143124 /nfs/dbraw/zinc/14/31/24/191143124.db2.gz SIYQBTRBNYRMQF-UHFFFAOYSA-N 0 3 313.365 0.464 40 0 DCABHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408707755 239272723 /nfs/dbraw/zinc/27/27/23/239272723.db2.gz DPGKCTBRTXYWLV-UHFFFAOYSA-N 0 3 318.377 0.195 40 0 DCABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cncnc1)C2)[C@H]3O ZINC000257317679 203041293 /nfs/dbraw/zinc/04/12/93/203041293.db2.gz VKTKMYUOWANVMX-YIIZKNBGSA-N 0 3 316.405 0.782 40 0 DCABHN CCN(CC)C[C@@H]1OC[C@@H](NC(=O)NCc2ccccc2)[C@H]1O ZINC000514288626 257216039 /nfs/dbraw/zinc/21/60/39/257216039.db2.gz JGJWBJRAMPXESD-OWCLPIDISA-N 0 3 321.421 0.956 40 0 biogenic,in-vitro DCABHN CN(C)C(=O)CN1C(=O)C[C@@H]2[C@@H]1CCN2CCc1ccccc1 ZINC000096183910 395747498 /nfs/dbraw/zinc/74/74/98/395747498.db2.gz MTVDHTJFCKVLKU-JKSUJKDBSA-N 0 3 315.417 0.993 40 0 DCABHN Cn1ccnc1C(=O)N[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12 ZINC000096056356 395741569 /nfs/dbraw/zinc/74/15/69/395741569.db2.gz DVKFLSDPKPBDOH-MGPQQGTHSA-N 0 3 304.394 0.792 40 0 DCABHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@@H]3CCOC3)CC[C@@H]21 ZINC000096064395 395742738 /nfs/dbraw/zinc/74/27/38/395742738.db2.gz ZSAOXDLSYMPEQR-KBXIAJHMSA-N 0 3 319.409 0.236 40 0 DCABHN CNC(=O)CN1CCC2(CCCN(Cc3nccn3C)C2)CC1 ZINC000096071812 395743154 /nfs/dbraw/zinc/74/31/54/395743154.db2.gz LVFURZAHJBDDDF-UHFFFAOYSA-N 0 3 319.453 0.844 40 0 DCABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnn(C)c1 ZINC000096092196 395744289 /nfs/dbraw/zinc/74/42/89/395744289.db2.gz SKELPEWNWVNPKB-HUUCEWRRSA-N 0 3 305.426 0.547 40 0 DCABHN CN(C)C(=O)[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096224873 395750631 /nfs/dbraw/zinc/75/06/31/395750631.db2.gz XWGXAXIAANBBBN-CQSZACIVSA-N 0 3 306.410 0.879 40 0 DCABHN CCc1cnc(N2C[C@@H]3C(=O)N(CCN(C)C)C[C@@H]3C2)nc1 ZINC000096244956 395750857 /nfs/dbraw/zinc/75/08/57/395750857.db2.gz RFRZWDNKQMCBOU-KGLIPLIRSA-N 0 3 303.410 0.495 40 0 DCABHN CNc1ncccc1CN1CCN(C)C[C@@H](C(=O)N(C)C)C1 ZINC000257210633 396037588 /nfs/dbraw/zinc/03/75/88/396037588.db2.gz BVNPQQQCLSDGMX-CQSZACIVSA-N 0 3 305.426 0.575 40 0 DCABHN Cn1nccc1CN[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O ZINC000257238092 396041893 /nfs/dbraw/zinc/04/18/93/396041893.db2.gz HJOBSMFNNKSGAD-QBPKDAKJSA-N 0 3 317.389 0.842 40 0 DCABHN CC(=O)N1CCC(O)(CN2CC[C@H](c3nccc(C)n3)C2)CC1 ZINC000257265761 396045598 /nfs/dbraw/zinc/04/55/98/396045598.db2.gz MADVDALDAMQXJB-HNNXBMFYSA-N 0 3 318.421 0.948 40 0 DCABHN CN(C)C/C=C/C(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585289011 396647803 /nfs/dbraw/zinc/64/78/03/396647803.db2.gz CTVSXVLFOMRGKW-YOCVDRLZSA-N 0 3 318.417 0.937 40 0 DCABHN CC(=O)N1CCC(O)(CN2CCC[C@@H]2c2cnccn2)CC1 ZINC000257331134 416335434 /nfs/dbraw/zinc/33/54/34/416335434.db2.gz XROATIHLVLKGSO-OAHLLOKOSA-N 0 3 304.394 0.987 40 0 DCABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218543487 416327652 /nfs/dbraw/zinc/32/76/52/416327652.db2.gz RLJKFTSIVROBMQ-SGMGOOAPSA-N 0 3 315.366 0.844 40 0 DCABHN NCC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072360876 191132111 /nfs/dbraw/zinc/13/21/11/191132111.db2.gz DXGMAQGADFKXKG-UHFFFAOYSA-N 0 3 313.365 0.675 40 0 DCABHN NCC(=O)N1CCC[C@@H](Cc2ccc(N3CCCC3)nn2)C1 ZINC000072387251 191145475 /nfs/dbraw/zinc/14/54/75/191145475.db2.gz KRNWZRJCRIMNJU-ZDUSSCGKSA-N 0 3 303.410 0.817 40 0 DCABHN O=C([C@H]1CCCO1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292341 182113430 /nfs/dbraw/zinc/11/34/30/182113430.db2.gz MRSKOBZLDXWAHG-UONOGXRCSA-N 0 3 302.378 0.965 40 0 DCABHN CNc1cc(CN(C)C(=O)CN(C)C)nc([C@H]2CCCN2)n1 ZINC000019760682 395690958 /nfs/dbraw/zinc/69/09/58/395690958.db2.gz ZCJHZYGEDPVZPO-GFCCVEGCSA-N 0 3 306.414 0.463 40 0 DCABHN CN1CCC(NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000031224341 395705917 /nfs/dbraw/zinc/70/59/17/395705917.db2.gz DILPWOPSPLGCHI-UHFFFAOYSA-N 0 3 311.407 0.882 40 0 DCABHN CC(=O)N1[C@@H](Cn2cccn2)C[C@@H]2CN([C@@H]3CCOC3)CC[C@@H]21 ZINC000096064453 395742410 /nfs/dbraw/zinc/74/24/10/395742410.db2.gz FLMVNACLOOLBHQ-VQHPVUNQSA-N 0 3 318.421 0.983 40 0 DCABHN CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3CCOC3)C2)C1=O ZINC000096073948 395743260 /nfs/dbraw/zinc/74/32/60/395743260.db2.gz TUKHRMPRMOQCCX-YOEHRIQHSA-N 0 3 323.437 0.426 40 0 DCABHN OCCOCc1nnn2c1CN(CCN1CCCC1)CCC2 ZINC000096256061 395751906 /nfs/dbraw/zinc/75/19/06/395751906.db2.gz VSKVNIUUSMLZGH-UHFFFAOYSA-N 0 3 309.414 0.089 40 0 DCABHN Cc1cc(C)n2ncc(CN3CCN(C)C[C@H](C(N)=O)C3)c2n1 ZINC000257250925 396043473 /nfs/dbraw/zinc/04/34/73/396043473.db2.gz JOPCMZXTSKQWCZ-AWEZNQCLSA-N 0 3 316.409 0.195 40 0 DCABHN COC[C@@H]1CN(C(=O)c2cnn(C)c2)CC12CCN(C)CC2 ZINC000585103628 396639078 /nfs/dbraw/zinc/63/90/78/396639078.db2.gz QBWRIMQOSJLDIE-AWEZNQCLSA-N 0 3 306.410 0.851 40 0 DCABHN CN(C)C[C@@H]1CCn2nccc2CN1C(=O)c1ccn(C)n1 ZINC000585097399 396639302 /nfs/dbraw/zinc/63/93/02/396639302.db2.gz KYUVSQLSEXSTAI-LBPRGKRZSA-N 0 3 302.382 0.593 40 0 DCABHN CC(=O)N1[C@@H](Cn2cccn2)C[C@@H]2CN([C@H]3CCOC3)CC[C@@H]21 ZINC000107769968 415671623 /nfs/dbraw/zinc/67/16/23/415671623.db2.gz FLMVNACLOOLBHQ-TWMKSMIVSA-N 0 3 318.421 0.983 40 0 DCABHN O=C(CN1CCCC1=O)N1CCC(N2CCCOCC2)CC1 ZINC000627738005 417493965 /nfs/dbraw/zinc/49/39/65/417493965.db2.gz IOAJHJZVQVACEI-UHFFFAOYSA-N 0 3 309.410 0.322 40 0 DCABHN Cn1cc(C[C@H]2[C@H](NS(C)(=O)=O)CCN2CC2CC2)cn1 ZINC000096200972 294241750 /nfs/dbraw/zinc/24/17/50/294241750.db2.gz JMABVQJEGGXDHS-KGLIPLIRSA-N 0 3 312.439 0.365 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2cccc(OCCO)c2)C1 ZINC000257277279 203006557 /nfs/dbraw/zinc/00/65/57/203006557.db2.gz NXERYFDQYJBZBU-OAHLLOKOSA-N 0 3 321.421 0.167 40 0 DCABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2nccn2C)c1 ZINC000257294632 203020005 /nfs/dbraw/zinc/02/00/05/203020005.db2.gz QUZRKVJHEKZXTQ-OAHLLOKOSA-N 0 3 313.405 0.926 40 0 DCABHN O=C(Cn1cnc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257344146 203066470 /nfs/dbraw/zinc/06/64/70/203066470.db2.gz ZVYQDSXFFYSBSZ-HZPDHXFCSA-N 0 3 314.389 0.704 40 0 DCABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CC2)[C@H]1O ZINC000514288953 257216464 /nfs/dbraw/zinc/21/64/64/257216464.db2.gz LFWYSZUSCLVGKE-YESZJQIVSA-N 0 3 318.417 0.815 40 0 biogenic,in-vitro DCABHN CC1CCN(C[C@@H]2OC[C@H](NC(=O)NC3CCC3)[C@H]2O)CC1 ZINC000514289059 257216470 /nfs/dbraw/zinc/21/64/70/257216470.db2.gz MXVFUGVTVDTLCV-SOUVJXGZSA-N 0 3 311.426 0.698 40 0 biogenic,in-vitro DCABHN COc1ccc2c3c1O[C@@H]1C(=O)C=C[C@]4(O)[C@@H](C2)N(C)CC[C@]314 ZINC000002040405 395681218 /nfs/dbraw/zinc/68/12/18/395681218.db2.gz YYCRAERBSFHMPL-ZSGPHXLJSA-N 0 3 313.353 0.824 40 0 biogenic,in-vitro DCABHN CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2C)C1 ZINC000096185685 395747895 /nfs/dbraw/zinc/74/78/95/395747895.db2.gz JXHMGLSVRBPAMP-RDBSUJKOSA-N 0 3 312.439 0.627 40 0 DCABHN O=C(N[C@H]1CN(CC2CC2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186914 395748022 /nfs/dbraw/zinc/74/80/22/395748022.db2.gz QEZLTJDCEUEEET-RRFJBIMHSA-N 0 3 302.378 0.848 40 0 DCABHN COCC(=O)N[C@H]1CCc2c(ccc(=O)n2CCN(C)C)C1 ZINC000096189652 395748428 /nfs/dbraw/zinc/74/84/28/395748428.db2.gz HHAPAKSKPRRYOT-ZDUSSCGKSA-N 0 3 307.394 0.030 40 0 DCABHN CNC(=O)CO[C@H]1COC2(C1)CCN(Cc1[nH]cnc1C)CC2 ZINC000096073121 395743310 /nfs/dbraw/zinc/74/33/10/395743310.db2.gz QREXWGFQDQDOAE-CYBMUJFWSA-N 0 3 322.409 0.604 40 0 DCABHN CCS(=O)(=O)N1CCOC[C@@]2(CCN(CCOC)C2)C1 ZINC000096087607 395743840 /nfs/dbraw/zinc/74/38/40/395743840.db2.gz GWFCCZIXJTWFFF-CYBMUJFWSA-N 0 3 306.428 0.007 40 0 DCABHN Cn1ccc(C(=O)N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)n1 ZINC000096107993 395744451 /nfs/dbraw/zinc/74/44/51/395744451.db2.gz WBNIPXLKBJPZSO-DZGCQCFKSA-N 0 3 304.394 0.603 40 0 DCABHN CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1ccccn1)C2 ZINC000096108697 395744654 /nfs/dbraw/zinc/74/46/54/395744654.db2.gz GULZXPVQFYDRHX-PBHICJAKSA-N 0 3 319.405 0.635 40 0 DCABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cccc(C)n1)C2 ZINC000096108401 395744806 /nfs/dbraw/zinc/74/48/06/395744806.db2.gz QKMWKLFDKTZABK-PBHICJAKSA-N 0 3 319.405 0.601 40 0 DCABHN COCCO[C@@H]1CCN([C@@H]2CCOC2)[C@H]1Cc1cnn(C)c1 ZINC000096200236 395748953 /nfs/dbraw/zinc/74/89/53/395748953.db2.gz SHHRFJPECMNSBP-OWCLPIDISA-N 0 3 309.410 0.857 40 0 DCABHN CC(C)CN1CCC2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1 ZINC000096202639 395749299 /nfs/dbraw/zinc/74/92/99/395749299.db2.gz PSSNKTLKQUDCIO-UHFFFAOYSA-N 0 3 312.439 0.773 40 0 DCABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccoc1)C2)N1CCOCC1 ZINC000096206547 395749408 /nfs/dbraw/zinc/74/94/08/395749408.db2.gz NLJOBENAJFYXFK-WBVHZDCISA-N 0 3 320.389 0.977 40 0 DCABHN CN1CCc2nc(N3CCOCC3)nc(NC3CC3)c2CC1 ZINC000096254626 395752064 /nfs/dbraw/zinc/75/20/64/395752064.db2.gz QDRVGDXIBYRLOL-UHFFFAOYSA-N 0 3 303.410 0.918 40 0 DCABHN COCCN1CCO[C@@H]2CCN(C(=O)c3cnc[nH]3)CC[C@H]21 ZINC000247817677 395978758 /nfs/dbraw/zinc/97/87/58/395978758.db2.gz CBELJQWCCYIZMB-ZIAGYGMSSA-N 0 3 308.382 0.362 40 0 DCABHN CC(=O)N1CCN(Cc2cccc3[nH]ccc32)C[C@H](C(N)=O)C1 ZINC000257200007 396036275 /nfs/dbraw/zinc/03/62/75/396036275.db2.gz ABPNHELFLXPOHS-AWEZNQCLSA-N 0 3 314.389 0.934 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000257256955 277013901 /nfs/dbraw/zinc/01/39/01/277013901.db2.gz KNNKIVDGYQTDDE-LBPRGKRZSA-N 0 3 317.380 0.948 40 0 DCABHN CNC(=O)[C@@H]1COC[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000097953298 332203395 /nfs/dbraw/zinc/20/33/95/332203395.db2.gz RRZYRBBQDGPUDE-MGPQQGTHSA-N 0 3 318.373 0.856 40 0 DCABHN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCN(C)C ZINC000408708028 527727320 /nfs/dbraw/zinc/72/73/20/527727320.db2.gz FUPWVAGEHIXADF-UHFFFAOYSA-N 0 3 320.393 0.441 40 0 DCABHN CN(C)c1cnnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000224309145 545943062 /nfs/dbraw/zinc/94/30/62/545943062.db2.gz QWLOOAVDIGHSCJ-ZDUSSCGKSA-N 0 3 305.382 0.370 40 0 DCABHN Cn1cnc(CNC(=O)c2ccccc2-n2cc(CN)cn2)c1 ZINC000257344309 203066604 /nfs/dbraw/zinc/06/66/04/203066604.db2.gz ZWNVSXYBBZELFR-UHFFFAOYSA-N 0 3 310.361 0.995 40 0 DCABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(CN)CO ZINC000218144552 257130744 /nfs/dbraw/zinc/13/07/44/257130744.db2.gz GFGHAPQXAMBNIF-BFHYXJOUSA-N 0 3 313.375 0.253 40 0 DCABHN COCCN1CCC2(CCN(Cc3cnn(C)c3)CC2)C1=O ZINC000096157755 395746651 /nfs/dbraw/zinc/74/66/51/395746651.db2.gz QUFJOOGZAOUPDZ-UHFFFAOYSA-N 0 3 306.410 0.881 40 0 DCABHN CC(C)CN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cn(C)cn1 ZINC000096184284 395747576 /nfs/dbraw/zinc/74/75/76/395747576.db2.gz YIAJRBWDFYWICR-QWHCGFSZSA-N 0 3 312.439 0.913 40 0 DCABHN Cc1ccc(CN2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)o1 ZINC000096185730 395748100 /nfs/dbraw/zinc/74/81/00/395748100.db2.gz QMVFPGVEOVVQDD-BNOWGMLFSA-N 0 3 314.407 0.584 40 0 DCABHN O=S(=O)(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1 ZINC000257211920 396038211 /nfs/dbraw/zinc/03/82/11/396038211.db2.gz CBBUWBHXVHBUGX-RBSFLKMASA-N 0 3 310.419 0.953 40 0 DCABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)n1 ZINC000257224308 396039992 /nfs/dbraw/zinc/03/99/92/396039992.db2.gz FBFWSLLEITULJW-ZDUSSCGKSA-N 0 3 301.350 0.919 40 0 DCABHN CNCC(=O)N1CCOC[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585269433 396642967 /nfs/dbraw/zinc/64/29/67/396642967.db2.gz UGDDKOFCOXWWOA-MRXNPFEDSA-N 0 3 308.378 0.183 40 0 DCABHN CNCC(=O)N1CCO[C@](CO)(Cc2ccc(Cl)cc2)C1 ZINC000585269311 396643288 /nfs/dbraw/zinc/64/32/88/396643288.db2.gz OUSXZHUEOJRGQK-OAHLLOKOSA-N 0 3 312.797 0.692 40 0 DCABHN CO[C@@H]1COC[C@@H](N(C)C(=O)CN(C)C2CCCC2)[C@@H]1OC ZINC000585288236 396646623 /nfs/dbraw/zinc/64/66/23/396646623.db2.gz SEJDZSWVPCFFQM-FMKPAKJESA-N 0 3 314.426 0.748 40 0 DCABHN CS(=O)(=O)CCNC(=O)N1CCC[C@@H](N2CCCC2)CC1 ZINC000153519080 415982057 /nfs/dbraw/zinc/98/20/57/415982057.db2.gz NAAQNAMQSIIZIE-CYBMUJFWSA-N 0 3 317.455 0.691 40 0 DCABHN CN1CCN(CCNc2cc(C3CC3)nc(NC3CC3)n2)CC1 ZINC000329035415 416145270 /nfs/dbraw/zinc/14/52/70/416145270.db2.gz REIWYFILCRSBEL-UHFFFAOYSA-N 0 3 316.453 0.431 40 0 DCABHN COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CC2)nn1 ZINC000008298521 545642026 /nfs/dbraw/zinc/64/20/26/545642026.db2.gz DVCRKHRAVJVYCM-GLQYFDAESA-N 0 3 319.409 0.414 40 0 biogenic,in-vitro DCABHN O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccc1 ZINC000952844636 768908672 /nfs/dbraw/zinc/90/86/72/768908672.db2.gz DCICYRZNLVFZBX-DGXTUMSLSA-N 0 3 301.346 0.699 40 0 biogenic,in-vitro DCABHN COCC(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 ZINC000072391641 191147769 /nfs/dbraw/zinc/14/77/69/191147769.db2.gz PLQIUEFRHKDZTN-LLVKDONJSA-N 0 3 318.381 0.008 40 0 DCABHN CCN(CC)S(=O)(=O)N1CC[C@@](O)(CN2CCCC2)C1 ZINC000257289856 203016577 /nfs/dbraw/zinc/01/65/77/203016577.db2.gz QALSSFDHSSMOJG-CYBMUJFWSA-N 0 3 305.444 0.106 40 0 DCABHN COC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(C)(=O)=O ZINC000242495197 257120761 /nfs/dbraw/zinc/12/07/61/257120761.db2.gz FZKSKURBGOAIMN-BFHYXJOUSA-N 0 3 313.375 0.517 40 0 DCABHN C[NH+](C)CC[N-]c1nc(-c2noc([N-]CC[NH+](C)C)n2)no1 ZINC000000027760 395679613 /nfs/dbraw/zinc/67/96/13/395679613.db2.gz BKRHWYUQCUCVTN-UHFFFAOYSA-N 0 3 310.362 0.067 40 0 DCABHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@@H]3CCCO3)CC[C@@H]21 ZINC000096185629 395747475 /nfs/dbraw/zinc/74/74/75/395747475.db2.gz UDARFPDYJFNEIJ-QPSCCSFWSA-N 0 3 319.409 0.378 40 0 DCABHN COCCN1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC000096064901 395742427 /nfs/dbraw/zinc/74/24/27/395742427.db2.gz UMZIAYRTBUEGNL-ARFHVFGLSA-N 0 3 319.405 0.681 40 0 DCABHN CNCC(=O)N1CC[C@H](O)[C@@H](Oc2cccc(OC)c2)CC1 ZINC000257206250 396036792 /nfs/dbraw/zinc/03/67/92/396036792.db2.gz BCPBPOQUMVQANK-GJZGRUSLSA-N 0 3 308.378 0.645 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2ccccc2F)C1 ZINC000257236266 396041778 /nfs/dbraw/zinc/04/17/78/396041778.db2.gz HBKHDVSKQRFWOT-CQSZACIVSA-N 0 3 321.396 0.895 40 0 DCABHN CC(C)N[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O ZINC000077264593 396216351 /nfs/dbraw/zinc/21/63/51/396216351.db2.gz UXZWYVCWLDHLDX-MCIONIFRSA-N 0 3 314.407 0.091 40 0 biogenic,in-vitro DCABHN CNC(=O)CN1CCC[C@]12CC(C)(C)O[C@H]2CC(=O)N(C)C ZINC000585290819 396647211 /nfs/dbraw/zinc/64/72/11/396647211.db2.gz GWIAHHSMXPZSHW-BLLLJJGKSA-N 0 3 311.426 0.613 40 0 DCABHN CCCN(Cc1[nH]c(CC)nc1C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291507 396648588 /nfs/dbraw/zinc/64/85/88/396648588.db2.gz PNYVRHQBLGYRTK-XPKDYRNWSA-N 0 3 311.426 0.861 40 0 DCABHN CN(C)CCNC(=O)[C@H]1C[C@@]2(CO1)CN(C)c1ccccc12 ZINC000096262823 415575121 /nfs/dbraw/zinc/57/51/21/415575121.db2.gz GKQWKTVFGSJBKW-WBVHZDCISA-N 0 3 303.406 0.841 40 0 DCABHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CCOC3)C2)C1=O ZINC000096073947 289156485 /nfs/dbraw/zinc/15/64/85/289156485.db2.gz TUKHRMPRMOQCCX-RHSMWYFYSA-N 0 3 323.437 0.426 40 0 DCABHN O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1CCCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000247947206 1183329218 /nfs/dbraw/zinc/32/92/18/1183329218.db2.gz RIMRKBFTWVRAFJ-ZOPJHEKZSA-N 0 3 311.341 0.591 40 0 DCABHN Cc1cc(Nc2ncccn2)nc([C@@H]2CCN(C(=O)CN)C2)n1 ZINC000072382989 191143247 /nfs/dbraw/zinc/14/32/47/191143247.db2.gz LOVOBHYYERYHBL-LLVKDONJSA-N 0 3 313.365 0.593 40 0 DCABHN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN(CCO)CCO ZINC000006617317 181361652 /nfs/dbraw/zinc/36/16/52/181361652.db2.gz DDMGCGGKEMYWRP-KLZNWCGWSA-N 0 3 315.454 0.865 40 0 DCABHN O=C(Cn1nc2ccccc2n1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257326588 203050154 /nfs/dbraw/zinc/05/01/54/203050154.db2.gz WXTOGUYWXUMCPS-HUUCEWRRSA-N 0 3 315.377 0.099 40 0 DCABHN OCCN(CCO)C[C@@H](O)COCC[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000041690386 183217757 /nfs/dbraw/zinc/21/77/57/183217757.db2.gz IZBYPEFUOYFAOY-FXUDXRNXSA-N 0 3 301.427 0.477 40 0 DCABHN COc1ccc(CC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000061524158 184172254 /nfs/dbraw/zinc/17/22/54/184172254.db2.gz SFYUHDLOSDMOCV-UHFFFAOYSA-N 0 3 305.422 0.991 40 0 DCABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@]1(CN)CO ZINC000242495427 257120272 /nfs/dbraw/zinc/12/02/72/257120272.db2.gz GFGHAPQXAMBNIF-MJBXVCDLSA-N 0 3 313.375 0.253 40 0 DCABHN CN1C(=O)c2cccnc2O[C@H]2CN(C3CCOCC3)C[C@H]21 ZINC000514290204 257215120 /nfs/dbraw/zinc/21/51/20/257215120.db2.gz VNKMAMUKHFHBRB-KGLIPLIRSA-N 0 3 303.362 0.778 40 0 biogenic,in-vitro DCABHN CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccc2)[C@@H]1O ZINC000012483544 395687687 /nfs/dbraw/zinc/68/76/87/395687687.db2.gz IUIABSWASDNAEG-OVYGPGRDSA-N 0 3 306.406 0.971 40 0 biogenic,in-vitro DCABHN Cn1cccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O ZINC000012529605 395687828 /nfs/dbraw/zinc/68/78/28/395687828.db2.gz GBQIZUAVGFSATM-OVYGPGRDSA-N 0 3 321.421 0.454 40 0 biogenic,in-vitro DCABHN CNCc1cc(NC)nc([C@H]2CCCN2CC(=O)N(C)C)n1 ZINC000019760397 395690988 /nfs/dbraw/zinc/69/09/88/395690988.db2.gz QVBAAWYVGXYQHT-GFCCVEGCSA-N 0 3 306.414 0.463 40 0 DCABHN CN1[C@H]2C[C@H](O)[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000002112569 395681268 /nfs/dbraw/zinc/68/12/68/395681268.db2.gz WTQYWNWRJNXDEG-LEOABGAYSA-N 0 3 305.374 0.902 40 0 world DCABHN COc1ccccc1NC(=O)CNCCCN1CCOCC1 ZINC000035311504 395720358 /nfs/dbraw/zinc/72/03/58/395720358.db2.gz MTHUYSUZWXYPRG-UHFFFAOYSA-N 0 3 307.394 0.946 40 0 DCABHN CC(C)N1CCOC[C@@]2(CN(Cc3cnn(C)c3)CCO2)C1 ZINC000096049722 395740992 /nfs/dbraw/zinc/74/09/92/395740992.db2.gz NPBXRYUEAQZBOV-MRXNPFEDSA-N 0 3 308.426 0.732 40 0 DCABHN COCCN1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2ccccn2)C1 ZINC000096065599 395742616 /nfs/dbraw/zinc/74/26/16/395742616.db2.gz FVIMELCLNKEYQM-HRCADAONSA-N 0 3 319.405 0.681 40 0 DCABHN CS(=O)(=O)NC[C@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21 ZINC000096065615 395742688 /nfs/dbraw/zinc/74/26/88/395742688.db2.gz HEJADAYQXZLRFU-MGPQQGTHSA-N 0 3 314.407 0.666 40 0 DCABHN COCCN1C[C@H]2[C@@H](C1)N(c1cc(OC)ncn1)CC[C@H]2OC ZINC000096209656 395749504 /nfs/dbraw/zinc/74/95/04/395749504.db2.gz QCNGRAANXCFXPB-BFHYXJOUSA-N 0 3 322.409 0.657 40 0 DCABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 ZINC000257217414 396038881 /nfs/dbraw/zinc/03/88/81/396038881.db2.gz CYVKSUBGBSUJOG-AWEZNQCLSA-N 0 3 301.350 0.919 40 0 DCABHN CC(C)C[C@@H](N)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585286451 396646931 /nfs/dbraw/zinc/64/69/31/396646931.db2.gz YIYQVKHSUBFBEW-IJEWVQPXSA-N 0 3 319.405 0.732 40 0 DCABHN CN(C)CCNC(=O)[C@H]1C[C@]2(CO1)CN(C)c1ccccc12 ZINC000096262822 415577591 /nfs/dbraw/zinc/57/75/91/415577591.db2.gz GKQWKTVFGSJBKW-NVXWUHKLSA-N 0 3 303.406 0.841 40 0 DCABHN CN(C)CCNc1nc(NC[C@@H]2CCCO2)cc(C2CC2)n1 ZINC000329065111 416148591 /nfs/dbraw/zinc/14/85/91/416148591.db2.gz XPRSALBBHJVLKA-ZDUSSCGKSA-N 0 3 305.426 0.762 40 0 DCABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000257242417 416335175 /nfs/dbraw/zinc/33/51/75/416335175.db2.gz ICJXMJORRXPKSI-KGLIPLIRSA-N 0 3 301.390 0.511 40 0 DCABHN COCC1(O)CN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000333599086 546086371 /nfs/dbraw/zinc/08/63/71/546086371.db2.gz CLDQNHPQALXCPN-UHFFFAOYSA-N 0 3 312.410 0.241 40 0 DCABHN COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2cccs2)nn1 ZINC001549159189 1014154127 /nfs/dbraw/zinc/15/41/27/1014154127.db2.gz IKHGVBWXOYOVHM-BFHYXJOUSA-N 0 3 324.406 0.404 40 0 DCABHN CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096075256 283317495 /nfs/dbraw/zinc/31/74/95/283317495.db2.gz UEKPQWJEOXQYCO-CYBMUJFWSA-N 0 3 309.410 0.368 40 0 DCABHN CC(=O)NC[C@]1(O)CN(Cc2c(C)[nH]c3ccccc32)C[C@H]1O ZINC000257306731 203032579 /nfs/dbraw/zinc/03/25/79/203032579.db2.gz SVONZTSZXHOQKK-SJORKVTESA-N 0 3 317.389 0.520 40 0 DCABHN COc1cccc(CC(=O)N2CCN(C)C[C@H](C(N)=O)C2)c1 ZINC000257327779 203050625 /nfs/dbraw/zinc/05/06/25/203050625.db2.gz XCSAFIOESPDFHQ-ZDUSSCGKSA-N 0 3 305.378 0.113 40 0 DCABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NCc2ccccn2)[C@H]1O ZINC000514288962 257216536 /nfs/dbraw/zinc/21/65/36/257216536.db2.gz LOPWBLAUZZXYSD-LTIDMASMSA-N 0 3 321.421 0.410 40 0 biogenic,in-vitro DCABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)COC)n1 ZINC000019760793 395691191 /nfs/dbraw/zinc/69/11/91/395691191.db2.gz SBCQMZBQAJRZSB-GFCCVEGCSA-N 0 3 307.398 0.572 40 0 DCABHN c1ncn(Cc2cnc3n2CCN(C[C@@H]2CCOC2)CC3)n1 ZINC000096197007 395748481 /nfs/dbraw/zinc/74/84/81/395748481.db2.gz XMJFXIKEKCDRMC-ZDUSSCGKSA-N 0 3 302.382 0.418 40 0 DCABHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@H]1CCOC1)CC2 ZINC000096067760 395742756 /nfs/dbraw/zinc/74/27/56/395742756.db2.gz AYYIAZMHFNLONU-AWEZNQCLSA-N 0 3 319.405 0.126 40 0 DCABHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000096075255 395743342 /nfs/dbraw/zinc/74/33/42/395743342.db2.gz UEKPQWJEOXQYCO-ZDUSSCGKSA-N 0 3 309.410 0.368 40 0 DCABHN COCCO[C@H]1CCN([C@H]2CCOC2)[C@H]1Cc1cnn(C)c1 ZINC000096200667 395748939 /nfs/dbraw/zinc/74/89/39/395748939.db2.gz SHHRFJPECMNSBP-JYJNAYRXSA-N 0 3 309.410 0.857 40 0 DCABHN Cc1ccc(CN2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)cc1 ZINC000248105657 395982294 /nfs/dbraw/zinc/98/22/94/395982294.db2.gz OZNUCMHZNSNBLK-OAGGEKHMSA-N 0 3 324.446 0.991 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1 ZINC000257210252 396037732 /nfs/dbraw/zinc/03/77/32/396037732.db2.gz BTUVJZRWJBZOSP-INIZCTEOSA-N 0 3 319.361 0.270 40 0 DCABHN CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)N2Cc2[nH]cnc2C)C1 ZINC000257264267 396044947 /nfs/dbraw/zinc/04/49/47/396044947.db2.gz LTRCXRWMSJBECG-CWRNSKLLSA-N 0 3 306.410 0.912 40 0 DCABHN CN1CCC(C)(C(=O)N2CC[C@H]3OCC(=O)N(C)[C@H]3C2)CC1 ZINC000257267392 396045289 /nfs/dbraw/zinc/04/52/89/396045289.db2.gz MHCJPUWMGRSULE-QWHCGFSZSA-N 0 3 309.410 0.176 40 0 DCABHN CN(C)C(=O)c1cnn(CC2CCN([C@@H]3COC[C@@H]3O)CC2)c1 ZINC000257267813 396045392 /nfs/dbraw/zinc/04/53/92/396045392.db2.gz MIWZKQYULJKJBN-CABCVRRESA-N 0 3 322.409 0.057 40 0 DCABHN CNCC(=O)N1CCO[C@@](CO)(Cc2ccc(Cl)cc2)C1 ZINC000585269310 396642952 /nfs/dbraw/zinc/64/29/52/396642952.db2.gz OUSXZHUEOJRGQK-HNNXBMFYSA-N 0 3 312.797 0.692 40 0 DCABHN COc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]cn3)C2=O)cc1 ZINC000105331273 415632840 /nfs/dbraw/zinc/63/28/40/415632840.db2.gz BTNCFGDKDXJXMS-CQSZACIVSA-N 0 3 314.345 0.883 40 0 DCABHN CNCC(=O)N1CCC2(CO[C@@H](Cc3cnccn3)C2)CC1 ZINC000257228592 416334888 /nfs/dbraw/zinc/33/48/88/416334888.db2.gz FULXUMADTSNUHR-AWEZNQCLSA-N 0 3 304.394 0.636 40 0 DCABHN O=S(=O)(C1CCCC1)N1CC[C@](O)(CN2CCCC2)C1 ZINC000257332160 416335403 /nfs/dbraw/zinc/33/54/03/416335403.db2.gz XVZUECPBDBLTMP-AWEZNQCLSA-N 0 3 302.440 0.791 40 0 DCABHN COc1ccc(C(=O)NC(=S)NC[C@H](O)CN(C)C)cc1 ZINC000005509060 181251027 /nfs/dbraw/zinc/25/10/27/181251027.db2.gz RGHYKILTPDOWCO-NSHDSACASA-N 0 3 311.407 0.222 40 0 DCABHN CN(C)C[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000257283615 203012637 /nfs/dbraw/zinc/01/26/37/203012637.db2.gz OZAHBMINPVVPMW-ZDUSSCGKSA-N 0 3 302.371 0.513 40 0 DCABHN CCN(CC)S(=O)(=O)N1CC[C@](O)(CN2CCCC2)C1 ZINC000257289857 203015892 /nfs/dbraw/zinc/01/58/92/203015892.db2.gz QALSSFDHSSMOJG-ZDUSSCGKSA-N 0 3 305.444 0.106 40 0 DCABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2nccn2C)c1 ZINC000257294631 203019137 /nfs/dbraw/zinc/01/91/37/203019137.db2.gz QUZRKVJHEKZXTQ-HNNXBMFYSA-N 0 3 313.405 0.926 40 0 DCABHN Cn1cnc(C(=O)NCc2nccnc2C2CCN(C)CC2)c1 ZINC000257330489 203053000 /nfs/dbraw/zinc/05/30/00/203053000.db2.gz XOQVNRMZRJZWFH-UHFFFAOYSA-N 0 3 314.393 0.949 40 0 DCABHN COc1cccc(CC(=O)N2CCN(C)C[C@@H](C(N)=O)C2)c1 ZINC000257327778 203050585 /nfs/dbraw/zinc/05/05/85/203050585.db2.gz XCSAFIOESPDFHQ-CYBMUJFWSA-N 0 3 305.378 0.113 40 0 DCABHN Cc1noc(CNC(=O)c2ccccc2-n2cc(CN)cn2)n1 ZINC000257336728 203058133 /nfs/dbraw/zinc/05/81/33/203058133.db2.gz YPTLCAVNCUFYNV-UHFFFAOYSA-N 0 3 312.333 0.952 40 0 DCABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc[nH]1 ZINC000096186216 395748039 /nfs/dbraw/zinc/74/80/39/395748039.db2.gz JLRONZDSXJBAHQ-ZIAGYGMSSA-N 0 3 304.394 0.782 40 0 DCABHN COCCN1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2ccco2)C1 ZINC000096064904 395742392 /nfs/dbraw/zinc/74/23/92/395742392.db2.gz SVBHFMZALVIMNR-RRFJBIMHSA-N 0 3 308.378 0.879 40 0 DCABHN CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cnc[nH]1)C2 ZINC000096073549 395743061 /nfs/dbraw/zinc/74/30/61/395743061.db2.gz OQFKRDPPUDGWME-DZGCQCFKSA-N 0 3 308.382 0.296 40 0 DCABHN c1ncc(OCc2nnc3n2CCN(CC2CC2)CC3)cn1 ZINC000096084586 395743947 /nfs/dbraw/zinc/74/39/47/395743947.db2.gz IETSFHWKASGKCQ-UHFFFAOYSA-N 0 3 300.366 0.915 40 0 DCABHN Cn1nccc1CNC(=O)c1ccccc1-n1cc(CN)cn1 ZINC000257231154 396041167 /nfs/dbraw/zinc/04/11/67/396041167.db2.gz GFNSATYDKVXTLU-UHFFFAOYSA-N 0 3 310.361 0.995 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)Cn2cnc3ccccc32)C1 ZINC000257235478 396041664 /nfs/dbraw/zinc/04/16/64/396041664.db2.gz GYAOSTMGEDBBBZ-MRXNPFEDSA-N 0 3 302.378 0.561 40 0 DCABHN CC(=O)NCCNC(=O)c1ccccc1-n1cc(CN)cn1 ZINC000257247767 396042376 /nfs/dbraw/zinc/04/23/76/396042376.db2.gz JAJLRZOHYYEUIC-UHFFFAOYSA-N 0 3 301.350 0.197 40 0 DCABHN NC(=O)C[C@@]1(O)COCCN(Cc2cccc3cccnc32)C1 ZINC000585281065 396645230 /nfs/dbraw/zinc/64/52/30/396645230.db2.gz SFBXNSZBQBXEHU-KRWDZBQOSA-N 0 3 315.373 0.674 40 0 DCABHN CNC(=O)C[C@@]1(CO)CCCN1C(=O)CN(C)C1CCCC1 ZINC000585279632 396645444 /nfs/dbraw/zinc/64/54/44/396645444.db2.gz WKUVLUGPTMKOFO-MRXNPFEDSA-N 0 3 311.426 0.350 40 0 DCABHN O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC=C(F)C1 ZINC000333316672 415609351 /nfs/dbraw/zinc/60/93/51/415609351.db2.gz MKYUYHRHEKDCKK-UHFFFAOYSA-N 0 3 306.345 0.977 40 0 DCABHN CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3cccn3C)O2)C1 ZINC000306127575 416104919 /nfs/dbraw/zinc/10/49/19/416104919.db2.gz GCORNYRMGOKULO-SJORKVTESA-N 0 3 321.421 0.911 40 0 DCABHN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCCC3CCC[C@H]1N32 ZINC000005759404 277123486 /nfs/dbraw/zinc/12/34/86/277123486.db2.gz PUSOSPKVIFCHMP-LZJXMMRTSA-N 0 3 309.362 0.923 40 0 DCABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)C1CC1 ZINC000096065761 282109251 /nfs/dbraw/zinc/10/92/51/282109251.db2.gz MXWCBMXWGCXHTP-BFHYXJOUSA-N 0 3 318.439 0.289 40 0 DCABHN Cn1ccnc1CNC(=O)[C@@H]1CN(c2ccncc2)CCO1 ZINC000072366508 191134991 /nfs/dbraw/zinc/13/49/91/191134991.db2.gz IRZXFFROEQJNNM-ZDUSSCGKSA-N 0 3 301.350 0.337 40 0 DCABHN NCC(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072382982 191142680 /nfs/dbraw/zinc/14/26/80/191142680.db2.gz BCQDGCGAPCYINB-NSHDSACASA-N 0 3 313.365 0.675 40 0 DCABHN NCC(=O)N1CCC[C@H](Cc2ccc(N3CCCC3)nn2)C1 ZINC000072387252 191145152 /nfs/dbraw/zinc/14/51/52/191145152.db2.gz KRNWZRJCRIMNJU-CYBMUJFWSA-N 0 3 303.410 0.817 40 0 DCABHN CC(C)c1nnc(CCC(=O)N2CC[C@](O)(CN(C)C)C2)o1 ZINC000257297826 203024054 /nfs/dbraw/zinc/02/40/54/203024054.db2.gz RIYASJXQRCYYEE-HNNXBMFYSA-N 0 3 310.398 0.651 40 0 DCABHN COc1ccc(S(=O)(=O)N2CC[C@@](O)(CN(C)C)C2)cc1 ZINC000257277879 203007030 /nfs/dbraw/zinc/00/70/30/203007030.db2.gz NZWMDJFSAKMARY-CQSZACIVSA-N 0 3 314.407 0.382 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2c(C)noc2C)C1 ZINC000257278944 203008614 /nfs/dbraw/zinc/00/86/14/203008614.db2.gz OEIKFSOBWWUJHF-ZDUSSCGKSA-N 0 3 322.409 0.360 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)CCn2nnc3ccccc32)C1 ZINC000257291620 203017393 /nfs/dbraw/zinc/01/73/93/203017393.db2.gz QHWNUVHXAZLNLU-MRXNPFEDSA-N 0 3 317.393 0.346 40 0 DCABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cnn(C)c2)c1 ZINC000257292871 203018061 /nfs/dbraw/zinc/01/80/61/203018061.db2.gz QNGRSQGVCOAYAR-INIZCTEOSA-N 0 3 313.405 0.926 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)CCN2CCc3ccccc32)C1 ZINC000257314891 203037696 /nfs/dbraw/zinc/03/76/96/203037696.db2.gz UZAIEUYTMIKROR-GOSISDBHSA-N 0 3 317.433 0.964 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000257316033 203039873 /nfs/dbraw/zinc/03/98/73/203039873.db2.gz VDVSABVBIWIFCY-KRWDZBQOSA-N 0 3 302.374 0.987 40 0 DCABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)C1(CN)CN ZINC000218144248 257130924 /nfs/dbraw/zinc/13/09/24/257130924.db2.gz HUUCMBCUMFBAET-STQMWFEESA-N 0 3 312.391 0.220 40 0 DCABHN O[C@H]1[C@H](CN2CCOCC2)OC[C@@H]1NC1Cc2ccccc2C1 ZINC000514289061 257216096 /nfs/dbraw/zinc/21/60/96/257216096.db2.gz MYSVVEQPOMJIQT-OKZBNKHCSA-N 0 3 318.417 0.204 40 0 biogenic,in-vitro DCABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)C(C)C)C2)C1 ZINC000514289902 257215357 /nfs/dbraw/zinc/21/53/57/257215357.db2.gz PUXCKSSIWVQPGI-HUUCEWRRSA-N 0 3 309.454 0.630 40 0 biogenic,in-vitro DCABHN COCCN1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 ZINC000096160725 395746595 /nfs/dbraw/zinc/74/65/95/395746595.db2.gz AWOHEDNDROKMMM-ZBFHGGJFSA-N 0 3 323.393 0.140 40 0 DCABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccnnc3)C2)O1 ZINC000096160197 395746794 /nfs/dbraw/zinc/74/67/94/395746794.db2.gz AGZXWCRDUURJNE-HOCLYGCPSA-N 0 3 320.393 0.428 40 0 DCABHN c1nc(CN2CCC3(C[C@H](N4CCOCC4)CO3)CC2)c[nH]1 ZINC000096074146 395743539 /nfs/dbraw/zinc/74/35/39/395743539.db2.gz XXESZDRZPBSXLL-HNNXBMFYSA-N 0 3 306.410 0.865 40 0 DCABHN c1ncc(CN2CCC3(C[C@H](N4CCOCC4)CO3)CC2)[nH]1 ZINC000096074146 395743542 /nfs/dbraw/zinc/74/35/42/395743542.db2.gz XXESZDRZPBSXLL-HNNXBMFYSA-N 0 3 306.410 0.865 40 0 DCABHN COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccc[nH]3)C[C@H]2C1 ZINC000096080933 395743854 /nfs/dbraw/zinc/74/38/54/395743854.db2.gz KQCLUGXKMPZQQX-STQMWFEESA-N 0 3 305.378 0.858 40 0 DCABHN CN(C)C(=O)CN1CC[C@H]2CN(Cc3ccccn3)C[C@@H]2C1=O ZINC000096249054 395751838 /nfs/dbraw/zinc/75/18/38/395751838.db2.gz BGDQKXNVFCGBMI-ZFWWWQNUSA-N 0 3 316.405 0.450 40 0 DCABHN NC(=O)CCN1CCOC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585268893 396643124 /nfs/dbraw/zinc/64/31/24/396643124.db2.gz CSPNAIPETWNUEJ-OAHLLOKOSA-N 0 3 312.341 0.143 40 0 DCABHN CN(C)[C@H]1CN(Cc2ccc(OCCOCCO)cc2)C[C@@H]1O ZINC000585270295 396643239 /nfs/dbraw/zinc/64/32/39/396643239.db2.gz SXUCXFMZOVURCT-IRXDYDNUSA-N 0 3 324.421 0.181 40 0 DCABHN C(C1CC1)N1CCOC[C@@]2(CC[C@@H](CN3CCOCC3)O2)C1 ZINC000107739708 415670314 /nfs/dbraw/zinc/67/03/14/415670314.db2.gz IFRHBCQUXJFFCV-DLBZAZTESA-N 0 3 310.438 0.979 40 0 DCABHN CCOC(=O)[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218543343 416327686 /nfs/dbraw/zinc/32/76/86/416327686.db2.gz RLJKFTSIVROBMQ-MBNYWOFBSA-N 0 3 315.366 0.844 40 0 DCABHN CN(C)C(=O)COC[C@H]1CN(C)C2(CN(Cc3cn[nH]c3)C2)C1 ZINC000585093794 416517355 /nfs/dbraw/zinc/51/73/55/416517355.db2.gz GFIHTJZOONHCIL-CYBMUJFWSA-N 0 3 321.425 0.021 40 0 DCABHN O=S1(=O)C[C@H](O)[C@@H](NCCNCc2cccc(Cl)c2)C1 ZINC000575421409 417535828 /nfs/dbraw/zinc/53/58/28/417535828.db2.gz QKOUQXKPYZDAAX-STQMWFEESA-N 0 3 318.826 0.177 40 0 DCABHN CNCC(=O)N1CCC[C@@H]1c1cncc(CCC(=O)N(C)C)n1 ZINC000072367002 191137624 /nfs/dbraw/zinc/13/76/24/191137624.db2.gz BVHYDGFGWIYKJU-CQSZACIVSA-N 0 3 319.409 0.380 40 0 DCABHN CNCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 ZINC000257276616 203003822 /nfs/dbraw/zinc/00/38/22/203003822.db2.gz NUMPXZISWHCYBG-INIZCTEOSA-N 0 3 318.421 0.797 40 0 DCABHN O=C(COc1cccc(F)c1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257318439 203043704 /nfs/dbraw/zinc/04/37/04/203043704.db2.gz VNXOJTADHABJEZ-HUUCEWRRSA-N 0 3 308.353 0.872 40 0 DCABHN COc1ccc(N2C(=O)C(Cl)=C(N3CCNCC3)C2=O)cc1 ZINC000019792837 182150255 /nfs/dbraw/zinc/15/02/55/182150255.db2.gz FOSOTVXWNGSTFE-UHFFFAOYSA-N 0 3 321.764 0.924 40 0 DCABHN CNS(=O)(=O)c1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000061031072 184160449 /nfs/dbraw/zinc/16/04/49/184160449.db2.gz LFCWQSSNUPBIKC-UHFFFAOYSA-N 0 3 311.407 0.419 40 0 DCABHN CCN(CC)C[C@@H]1OC[C@@H](NC(=O)c2ccc(OC)cc2)[C@H]1O ZINC000514289571 257216726 /nfs/dbraw/zinc/21/67/26/257216726.db2.gz VILZPNUGEJOVRQ-OWCLPIDISA-N 0 3 322.405 0.895 40 0 biogenic,in-vitro DCABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)C(C)C)C2)C1 ZINC000514289904 257215614 /nfs/dbraw/zinc/21/56/14/257215614.db2.gz PUXCKSSIWVQPGI-LSDHHAIUSA-N 0 3 309.454 0.630 40 0 biogenic,in-vitro DCABHN CN(C)C(=O)CN1C[C@H]2CCCN(Cc3cnn(C)c3)[C@H]2C1 ZINC000096054173 395741359 /nfs/dbraw/zinc/74/13/59/395741359.db2.gz VFLKZEOPZUCQIS-CABCVRRESA-N 0 3 305.426 0.405 40 0 DCABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccc(OC)cc3)C[C@H]2N1C ZINC000096054209 395741638 /nfs/dbraw/zinc/74/16/38/395741638.db2.gz HTJRBZXBASHHHV-CWRNSKLLSA-N 0 3 303.406 0.946 40 0 DCABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)on1)CC[C@H]2OC ZINC000096217551 395749759 /nfs/dbraw/zinc/74/97/59/395749759.db2.gz WJAYMZLDQOTKMS-NWANDNLSSA-N 0 3 323.393 0.791 40 0 DCABHN OCCN1CCOC[C@]2(C[C@H](CNc3ccccn3)CO2)C1 ZINC000096240674 395751136 /nfs/dbraw/zinc/75/11/36/395751136.db2.gz WCVQPAPZPRKBSH-ZBFHGGJFSA-N 0 3 307.394 0.593 40 0 DCABHN CN(C)C[C@]1(O)CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000257229891 396040816 /nfs/dbraw/zinc/04/08/16/396040816.db2.gz FZWQEKDEBYUUBP-CYBMUJFWSA-N 0 3 302.371 0.513 40 0 DCABHN CN(C)C[C@@]1(O)CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000257229892 396040997 /nfs/dbraw/zinc/04/09/97/396040997.db2.gz FZWQEKDEBYUUBP-ZDUSSCGKSA-N 0 3 302.371 0.513 40 0 DCABHN CN(C)C[C@@]1(O)CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000257261460 396044193 /nfs/dbraw/zinc/04/41/93/396044193.db2.gz LHKHHZPQIROQDA-ZDUSSCGKSA-N 0 3 302.371 0.513 40 0 DCABHN CN(C)C[C@]1(O)CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000257261459 396044402 /nfs/dbraw/zinc/04/44/02/396044402.db2.gz LHKHHZPQIROQDA-CYBMUJFWSA-N 0 3 302.371 0.513 40 0 DCABHN O=C(NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O)c1cccs1 ZINC000077264244 396216173 /nfs/dbraw/zinc/21/61/73/396216173.db2.gz XUARAPKKDGGNDT-WZRBSPASSA-N 0 3 322.390 0.119 40 0 biogenic,in-vitro DCABHN Cc1ccccc1OC[C@@]1(O)COCCN(CCC(N)=O)C1 ZINC000585275204 396642726 /nfs/dbraw/zinc/64/27/26/396642726.db2.gz ACTDDBXFSBYZEV-INIZCTEOSA-N 0 3 308.378 0.313 40 0 DCABHN Cc1noc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)n1 ZINC000585098121 396639258 /nfs/dbraw/zinc/63/92/58/396639258.db2.gz UIPWAJYCPDMEQF-GFCCVEGCSA-N 0 3 318.381 0.480 40 0 DCABHN CCS(=O)(=O)c1ccc(N2C(=N)NC(=N)NC2(C)C)cc1 ZINC000001842840 276393716 /nfs/dbraw/zinc/39/37/16/276393716.db2.gz NQZRQFQJBBBTGR-UHFFFAOYSA-N 0 3 309.395 0.666 40 0 DCABHN CN(C)C(=O)CCc1cncc([C@H]2CCCN2C(=O)CN)n1 ZINC000072366610 288952511 /nfs/dbraw/zinc/95/25/11/288952511.db2.gz ZYCSRULOQVHOHO-CYBMUJFWSA-N 0 3 305.382 0.120 40 0 DCABHN CC(=O)N1CCOC[C@@]2(CC[C@@H](CNCc3ccncc3)O2)C1 ZINC000306131276 526639028 /nfs/dbraw/zinc/63/90/28/526639028.db2.gz JZXDOBCPBIRXKS-DLBZAZTESA-N 0 3 319.405 0.968 40 0 DCABHN COc1cccc(N2CCO[C@@H](C(=O)NCCN(C)C)C2)c1 ZINC000072356792 191130319 /nfs/dbraw/zinc/13/03/19/191130319.db2.gz RMGQTNIEHCSJLL-OAHLLOKOSA-N 0 3 307.394 0.578 40 0 DCABHN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2C(=O)CN)n1 ZINC000072360892 191131231 /nfs/dbraw/zinc/13/12/31/191131231.db2.gz LWMMRKSVGCHEQT-GFCCVEGCSA-N 0 3 313.365 0.941 40 0 DCABHN C[C@]1(C(=O)N2CCOCC2)CN(CC2CCOCC2)CCO1 ZINC000072379827 191142369 /nfs/dbraw/zinc/14/23/69/191142369.db2.gz QXMZEDRJMHIVIE-MRXNPFEDSA-N 0 3 312.410 0.363 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC000257310144 203034442 /nfs/dbraw/zinc/03/44/42/203034442.db2.gz UDVQKERCHAJJPI-GFCCVEGCSA-N 0 3 320.315 0.578 40 0 DCABHN NCC(=O)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257279143 203008954 /nfs/dbraw/zinc/00/89/54/203008954.db2.gz OFECIFZSTWOVBT-NSHDSACASA-N 0 3 313.365 0.675 40 0 DCABHN CN(C)CCNCc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000019823991 182154244 /nfs/dbraw/zinc/15/42/44/182154244.db2.gz OCSBYTIBEGXAFY-UHFFFAOYSA-N 0 3 303.362 0.951 40 0 DCABHN COc1ccc(C)cc1NC(=O)CNCCN1CCOCC1 ZINC000035311405 395720038 /nfs/dbraw/zinc/72/00/38/395720038.db2.gz FXXWGHROPCVMHP-UHFFFAOYSA-N 0 3 307.394 0.864 40 0 DCABHN O=C(N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1)N1CCOCC1 ZINC000096161519 395746776 /nfs/dbraw/zinc/74/67/76/395746776.db2.gz WGWHIFYLBRNONL-IYBDPMFKSA-N 0 3 316.405 0.897 40 0 DCABHN C(C1CC1)N1CCOC[C@]2(CC[C@H](CN3CCOCC3)O2)C1 ZINC000096052369 395741697 /nfs/dbraw/zinc/74/16/97/395741697.db2.gz IFRHBCQUXJFFCV-SJORKVTESA-N 0 3 310.438 0.979 40 0 DCABHN CN1CCN(CCO)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000096230090 395750596 /nfs/dbraw/zinc/75/05/96/395750596.db2.gz CILZNVVRNAKIRL-UHFFFAOYSA-N 0 3 323.462 0.849 40 0 DCABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC000096249269 395752142 /nfs/dbraw/zinc/75/21/42/395752142.db2.gz GHWSSYHBBSJLMA-HOTGVXAUSA-N 0 3 320.437 0.882 40 0 DCABHN COCCN1CCO[C@H]2CCN(C(=O)c3cnc[nH]3)CC[C@H]21 ZINC000247817675 395978723 /nfs/dbraw/zinc/97/87/23/395978723.db2.gz CBELJQWCCYIZMB-KGLIPLIRSA-N 0 3 308.382 0.362 40 0 DCABHN CN1CCC(c2nccnc2CNC(=O)CN2CCCC2)CC1 ZINC000257220218 396038709 /nfs/dbraw/zinc/03/87/09/396038709.db2.gz DKBAXJFFVIKPPW-UHFFFAOYSA-N 0 3 317.437 0.998 40 0 DCABHN O=C(N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O)c1cnc[nH]1 ZINC000257235634 396041673 /nfs/dbraw/zinc/04/16/73/396041673.db2.gz GYSHVAONRWJUNT-HZPDHXFCSA-N 0 3 314.389 0.817 40 0 DCABHN CN(C)C(=O)c1cccc(C2CCN([C@H]3COC[C@H]3O)CC2)n1 ZINC000257250502 396043297 /nfs/dbraw/zinc/04/32/97/396043297.db2.gz JMTYXITYQJLFHZ-JKSUJKDBSA-N 0 3 319.405 0.723 40 0 DCABHN CNC(=O)C[C@]1(CO)CCCN1C(=O)CN(C)C1CCCC1 ZINC000585279629 396645549 /nfs/dbraw/zinc/64/55/49/396645549.db2.gz WKUVLUGPTMKOFO-INIZCTEOSA-N 0 3 311.426 0.350 40 0 DCABHN O=C1CO[C@H]2CN(CC3(O)CCCC3)C[C@@H]2N1C1CCOCC1 ZINC000585282326 396646223 /nfs/dbraw/zinc/64/62/23/396646223.db2.gz DNAKWNLFXCWXBL-GJZGRUSLSA-N 0 3 324.421 0.382 40 0 DCABHN CN(C)CCOC[C@@H]1CN(C(=O)CC2CC2)Cc2nnn(C)c21 ZINC000096045461 415578071 /nfs/dbraw/zinc/57/80/71/415578071.db2.gz CFWGROHUAIYUJX-ZDUSSCGKSA-N 0 3 321.425 0.619 40 0 DCABHN COCCN1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC000097953485 415588972 /nfs/dbraw/zinc/58/89/72/415588972.db2.gz FIRGXWDQJVRHGI-XHSDSOJGSA-N 0 3 319.405 0.937 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2ccccc2C)C1 ZINC000257272813 203000876 /nfs/dbraw/zinc/00/08/76/203000876.db2.gz NDZDRAZVMOCISB-OAHLLOKOSA-N 0 3 303.406 0.674 40 0 DCABHN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(CCO)C2 ZINC000096237885 395751032 /nfs/dbraw/zinc/75/10/32/395751032.db2.gz WRQRPOOFDYAMEP-MRXNPFEDSA-N 0 3 307.369 0.541 40 0 DCABHN CN(C)C(=O)CN1C[C@@H]2C(=O)N(Cc3ccncc3)C[C@@H]2C1 ZINC000096245135 395751425 /nfs/dbraw/zinc/75/14/25/395751425.db2.gz SUQAVRKRFQCRBX-KBPBESRZSA-N 0 3 302.378 0.060 40 0 DCABHN CN(C)C(=O)CN1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1=O ZINC000096245046 395751594 /nfs/dbraw/zinc/75/15/94/395751594.db2.gz XSCLFBPVWOJZML-STQMWFEESA-N 0 3 307.419 0.727 40 0 DCABHN Cc1nc2ccccn2c1CC(=O)N1CC[C@](O)(CN(C)C)C1 ZINC000257238158 396041934 /nfs/dbraw/zinc/04/19/34/396041934.db2.gz HJVDNVHLZVKUCR-KRWDZBQOSA-N 0 3 316.405 0.710 40 0 DCABHN CN(C)C(=O)c1cccc(C2CCN([C@@H]3COC[C@H]3O)CC2)n1 ZINC000257250501 396043707 /nfs/dbraw/zinc/04/37/07/396043707.db2.gz JMTYXITYQJLFHZ-HZPDHXFCSA-N 0 3 319.405 0.723 40 0 DCABHN Cc1ccccc1OC[C@]1(O)COCCN(CCC(N)=O)C1 ZINC000585275205 396643146 /nfs/dbraw/zinc/64/31/46/396643146.db2.gz ACTDDBXFSBYZEV-MRXNPFEDSA-N 0 3 308.378 0.313 40 0 DCABHN CC[C@@H](C)N1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099600 396638956 /nfs/dbraw/zinc/63/89/56/396638956.db2.gz RWKVSGBRSFMXRM-OCCSQVGLSA-N 0 3 302.440 0.754 40 0 DCABHN CC[C@H](C)N1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099596 396638986 /nfs/dbraw/zinc/63/89/86/396638986.db2.gz RWKVSGBRSFMXRM-GXTWGEPZSA-N 0 3 302.440 0.754 40 0 DCABHN COCC(=O)N1CCC[C@]2(CCC(=O)N2CCN(C)C)CC1 ZINC000096071921 292176834 /nfs/dbraw/zinc/17/68/34/292176834.db2.gz RGBXFMHRZLLLBY-INIZCTEOSA-N 0 3 311.426 0.568 40 0 DCABHN CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](CN2CCCC2)C1 ZINC000306135653 231087397 /nfs/dbraw/zinc/08/73/97/231087397.db2.gz OWWIUUODHDVGBO-CYBMUJFWSA-N 0 3 313.427 0.142 40 0 DCABHN CC[NH+](CC)CCCOC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O ZINC000001731324 180892847 /nfs/dbraw/zinc/89/28/47/180892847.db2.gz PKAHNGYBKCLKLY-BQYQJAHWSA-N 0 3 309.366 0.660 40 0 DCABHN CC(C)c1noc(CCC(=O)N2CCN(C)C[C@@H](C(N)=O)C2)n1 ZINC000257332174 203054802 /nfs/dbraw/zinc/05/48/02/203054802.db2.gz XWBNZAXBCRMJFN-LLVKDONJSA-N 0 3 323.397 0.001 40 0 DCABHN CN1C[C@]2(CC1=O)CNCCN(C(=O)Nc1ccccc1)C2 ZINC000105040411 194066514 /nfs/dbraw/zinc/06/65/14/194066514.db2.gz DIZQCQZXMSVNIH-INIZCTEOSA-N 0 3 302.378 0.972 40 0 DCABHN COCCN1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 ZINC000306123781 532974489 /nfs/dbraw/zinc/97/44/89/532974489.db2.gz AWOHEDNDROKMMM-HOCLYGCPSA-N 0 3 323.393 0.140 40 0 DCABHN CN(C)CCN1CCO[C@H]2CN(C(=O)c3cccnc3)C[C@H]21 ZINC000096054308 395741574 /nfs/dbraw/zinc/74/15/74/395741574.db2.gz LAMGUCYUKCBFBD-CABCVRRESA-N 0 3 304.394 0.168 40 0 DCABHN CCS(=O)(=O)N1CCC2(CN(CC3CCOCC3)C2)C1 ZINC000096089445 395743927 /nfs/dbraw/zinc/74/39/27/395743927.db2.gz IOUZEPZKQLJCOL-UHFFFAOYSA-N 0 3 302.440 0.770 40 0 DCABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 ZINC000096108392 395745269 /nfs/dbraw/zinc/74/52/69/395745269.db2.gz MRPZZMJYMONWHL-HIFRSBDPSA-N 0 3 310.419 0.959 40 0 DCABHN N[C@H]1CCN(c2nccn3c(=O)n(Cc4ccccc4)nc23)C1 ZINC000096530683 395754425 /nfs/dbraw/zinc/75/44/25/395754425.db2.gz XAWQFUOTEYXDIU-ZDUSSCGKSA-N 0 3 310.361 0.477 40 0 DCABHN CN1CCN(CC2=Cc3ccccc3OC2)C[C@H](C(N)=O)C1 ZINC000257206933 396037136 /nfs/dbraw/zinc/03/71/36/396037136.db2.gz BFNMACLQQBTCTG-OAHLLOKOSA-N 0 3 301.390 0.811 40 0 DCABHN CC(C)c1nnc(CCC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)o1 ZINC000257210608 396038348 /nfs/dbraw/zinc/03/83/48/396038348.db2.gz BVIRTBAPQUDNAY-CHWSQXEVSA-N 0 3 322.409 0.793 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)CN(C)Cc2cccnc2)C1 ZINC000257224202 396039672 /nfs/dbraw/zinc/03/96/72/396039672.db2.gz FASKOURNBOCGEG-MRXNPFEDSA-N 0 3 306.410 0.038 40 0 DCABHN CN(C)Cc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(C)[C@H]3C2)cc1 ZINC000257246243 396042607 /nfs/dbraw/zinc/04/26/07/396042607.db2.gz ITFZWLQIICBNRC-GJZGRUSLSA-N 0 3 317.389 0.430 40 0 DCABHN CC(=O)N[C@H]1CC2(CCN(Cc3cnc[nH]3)CC2)OC[C@]1(C)O ZINC000257252822 396043557 /nfs/dbraw/zinc/04/35/57/396043557.db2.gz JWFLLKREYHHRLH-GJZGRUSLSA-N 0 3 322.409 0.420 40 0 DCABHN CCOc1ccc(CN2C[C@@H](CC(N)=O)[C@@H](OC)C2)cc1CO ZINC000585276695 396643606 /nfs/dbraw/zinc/64/36/06/396643606.db2.gz COVJQNCBQGSTLA-CJNGLKHVSA-N 0 3 322.405 0.900 40 0 DCABHN O[C@@H]1COC[C@@H](CNCc2cccn2-c2ccccn2)[C@@H]1O ZINC000585287325 396646558 /nfs/dbraw/zinc/64/65/58/396646558.db2.gz XNXQWIFGMKAZMM-XPKDYRNWSA-N 0 3 303.362 0.330 40 0 DCABHN COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCCC3CCC[C@H]1N32 ZINC000005759405 415134271 /nfs/dbraw/zinc/13/42/71/415134271.db2.gz PUSOSPKVIFCHMP-DMGDTADUSA-N 0 3 309.362 0.923 40 0 DCABHN CC(=O)N1CCC(N2CCN3[C@H](CN(C)CC3(C)C)C2)CC1 ZINC000253403824 416334726 /nfs/dbraw/zinc/33/47/26/416334726.db2.gz QMLLBBFLHVDBAP-MRXNPFEDSA-N 0 3 308.470 0.708 40 0 biogenic,in-vitro DCABHN O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccc1 ZINC000952844669 768908607 /nfs/dbraw/zinc/90/86/07/768908607.db2.gz GMRHDVDMPJFBCY-ARILJUKYSA-N 0 3 302.334 0.094 40 0 biogenic,in-vitro DCABHN Cc1nccn1CCNC(=O)c1cncc([C@@H]2CCCN2)n1 ZINC000072365691 191134207 /nfs/dbraw/zinc/13/42/07/191134207.db2.gz QOTLCLNPUUMFRB-LBPRGKRZSA-N 0 3 300.366 0.836 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000257305534 203030695 /nfs/dbraw/zinc/03/06/95/203030695.db2.gz SQLWANRBGFHXKP-MRXNPFEDSA-N 0 3 315.377 0.406 40 0 DCABHN CC(=O)Nc1cnn(CC2CCN([C@H]3COC[C@@H]3O)CC2)c1 ZINC000257312552 203035975 /nfs/dbraw/zinc/03/59/75/203035975.db2.gz UOMMJXOTBVRTSB-GJZGRUSLSA-N 0 3 308.382 0.313 40 0 DCABHN COCC(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096086876 193531856 /nfs/dbraw/zinc/53/18/56/193531856.db2.gz JQONHSNLBHTCEJ-UHFFFAOYSA-N 0 3 320.393 0.218 40 0 DCABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)C2CCOCC2)[C@H]1O ZINC000514288553 257216788 /nfs/dbraw/zinc/21/67/88/257216788.db2.gz IAIWMOSOCMQHKR-SOUVJXGZSA-N 0 3 314.426 0.389 40 0 biogenic,in-vitro DCABHN CCCS(=O)(=O)N1CCO[C@H]2[C@H](OCCN(C)C)CC[C@@H]21 ZINC000096065760 395742398 /nfs/dbraw/zinc/74/23/98/395742398.db2.gz LWIQJIHMWUJLGB-BFHYXJOUSA-N 0 3 320.455 0.536 40 0 DCABHN COCCN1C[C@H]2OC[C@H](CC(=O)NCc3ccco3)[C@H]2C1 ZINC000096220389 395750076 /nfs/dbraw/zinc/75/00/76/395750076.db2.gz MMYGGXNRNQHHFF-NWANDNLSSA-N 0 3 308.378 0.879 40 0 DCABHN CN(C)CCNC(=O)c1noc2c1CN(C(=O)N(C)C)CC2 ZINC000096254353 395751946 /nfs/dbraw/zinc/75/19/46/395751946.db2.gz YPZJGPNLOUVPII-UHFFFAOYSA-N 0 3 309.370 0.006 40 0 DCABHN CCOC(=O)[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218543411 395842905 /nfs/dbraw/zinc/84/29/05/395842905.db2.gz RLJKFTSIVROBMQ-OBJOEFQTSA-N 0 3 315.366 0.844 40 0 DCABHN CC1(C)[C@H](OC[C@@H](O)CN(CCO)CCO)[C@]2(C)CC[C@H]1C2 ZINC000253477136 396029292 /nfs/dbraw/zinc/02/92/92/396029292.db2.gz DDMGCGGKEMYWRP-QBYUYEEZSA-N 0 3 315.454 0.865 40 0 DCABHN O[C@@H]1COC[C@@H](CNCc2c[nH]nc2-c2ccccc2)[C@@H]1O ZINC000585285452 396646251 /nfs/dbraw/zinc/64/62/51/396646251.db2.gz DFZDMENTIBDSLI-FMKPAKJESA-N 0 3 303.362 0.535 40 0 DCABHN COCC(=O)N1CCC[C@@]2(CCC(=O)N2CCN(C)C)CC1 ZINC000096071920 292176851 /nfs/dbraw/zinc/17/68/51/292176851.db2.gz RGBXFMHRZLLLBY-MRXNPFEDSA-N 0 3 311.426 0.568 40 0 DCABHN Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C)C1 ZINC000096244584 415578696 /nfs/dbraw/zinc/57/86/96/415578696.db2.gz FSQRQWDDUPLMIZ-MRXNPFEDSA-N 0 3 304.394 0.725 40 0 DCABHN CN(C)c1cnnc(N2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000224310804 333408309 /nfs/dbraw/zinc/40/83/09/333408309.db2.gz SVFTZGMHXPXSAF-UHFFFAOYSA-N 0 3 312.377 0.900 40 0 DCABHN CCN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514290427 257215087 /nfs/dbraw/zinc/21/50/87/257215087.db2.gz ZDPXIKBYGJIGGV-JKSUJKDBSA-N 0 3 302.422 0.407 40 0 biogenic,in-vitro DCABHN Cc1cccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)c1 ZINC000010111552 395685915 /nfs/dbraw/zinc/68/59/15/395685915.db2.gz KMFXKFKMUWEICH-UHFFFAOYSA-N 0 3 313.423 0.439 40 0 DCABHN O=C(N[C@H]1CN([C@H]2CCOC2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186919 395747604 /nfs/dbraw/zinc/74/76/04/395747604.db2.gz YAOSXJKLYJVNTR-SPWCGHHHSA-N 0 3 318.377 0.227 40 0 DCABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccno1 ZINC000096186214 395747702 /nfs/dbraw/zinc/74/77/02/395747702.db2.gz SYZGWGUGDVSKSY-VXGBXAGGSA-N 0 3 306.366 0.442 40 0 DCABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000096076506 395743425 /nfs/dbraw/zinc/74/34/25/395743425.db2.gz PZRUSQLLRPCKLQ-INIZCTEOSA-N 0 3 306.410 0.995 40 0 DCABHN CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN(Cc1cnc[nH]1)C2 ZINC000096073551 395743578 /nfs/dbraw/zinc/74/35/78/395743578.db2.gz OQFKRDPPUDGWME-ZFWWWQNUSA-N 0 3 308.382 0.296 40 0 DCABHN CNC(=O)CN1CCCC12CCN(Cc1cc(C)nn1C)CC2 ZINC000096090107 395743890 /nfs/dbraw/zinc/74/38/90/395743890.db2.gz QDNALJQIALVVRF-UHFFFAOYSA-N 0 3 319.453 0.905 40 0 DCABHN CN1CCO[C@@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000096107951 395744316 /nfs/dbraw/zinc/74/43/16/395744316.db2.gz FFFNYIIBUZIQRD-XJKSGUPXSA-N 0 3 318.373 0.747 40 0 DCABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(CN)CO ZINC000218144478 395841623 /nfs/dbraw/zinc/84/16/23/395841623.db2.gz GFGHAPQXAMBNIF-HZSPNIEDSA-N 0 3 313.375 0.253 40 0 DCABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)CC[C@H]21 ZINC000247964912 395980622 /nfs/dbraw/zinc/98/06/22/395980622.db2.gz GHWSSYHBBSJLMA-HZPDHXFCSA-N 0 3 320.437 0.882 40 0 DCABHN CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3cnn(C)c3)CC[C@@H]21 ZINC000247996456 395981061 /nfs/dbraw/zinc/98/10/61/395981061.db2.gz MPQZEZZFQVAQEN-IKGGRYGDSA-N 0 3 319.453 0.793 40 0 DCABHN Cn1c2ccccc2nc1CN1CCN(C)C[C@@H](C(N)=O)C1 ZINC000257211285 396038303 /nfs/dbraw/zinc/03/83/03/396038303.db2.gz BYHJGSBVHZIVAU-GFCCVEGCSA-N 0 3 301.394 0.422 40 0 DCABHN CC(C)n1nccc1CN1CCN(C)C[C@H](C(=O)N(C)C)C1 ZINC000257225278 396039621 /nfs/dbraw/zinc/03/96/21/396039621.db2.gz FFOMPIXBONROSB-AWEZNQCLSA-N 0 3 307.442 0.916 40 0 DCABHN CC(=O)NC[C@]1(O)CN(Cc2ccc3ccccc3c2)C[C@H]1O ZINC000257238842 396041838 /nfs/dbraw/zinc/04/18/38/396041838.db2.gz HMSZXLOBIZLKRT-MSOLQXFVSA-N 0 3 314.385 0.884 40 0 DCABHN COCCn1cnnc1C1CN(C(=O)[C@@]2(C)CCCCN2C)C1 ZINC000257240526 396041949 /nfs/dbraw/zinc/04/19/49/396041949.db2.gz HTYGERWTSJWGLY-MRXNPFEDSA-N 0 3 321.425 0.725 40 0 DCABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cncn2C)c1 ZINC000257254352 396044246 /nfs/dbraw/zinc/04/42/46/396044246.db2.gz KCRSPKOSVBDPML-INIZCTEOSA-N 0 3 313.405 0.926 40 0 DCABHN CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3ccncc3)O2)C1 ZINC000306131279 416104005 /nfs/dbraw/zinc/10/40/05/416104005.db2.gz JZXDOBCPBIRXKS-SJORKVTESA-N 0 3 319.405 0.968 40 0 DCABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 ZINC000257217415 416335012 /nfs/dbraw/zinc/33/50/12/416335012.db2.gz CYVKSUBGBSUJOG-CQSZACIVSA-N 0 3 301.350 0.919 40 0 DCABHN CN(C)CCN1CC[C@]2(CCCN(c3ncccn3)C2)C1=O ZINC000096073942 276761826 /nfs/dbraw/zinc/76/18/26/276761826.db2.gz WGNVPLABZMCGKL-INIZCTEOSA-N 0 3 303.410 0.857 40 0 DCABHN CN1CC[C@@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306135860 277161446 /nfs/dbraw/zinc/16/14/46/277161446.db2.gz PDGYDSHBNLAFEY-OAHLLOKOSA-N 0 3 318.402 0.492 40 0 DCABHN COc1ccc(C(=O)NC(=S)NC[C@@H](O)CN(C)C)cc1 ZINC000005509054 181251449 /nfs/dbraw/zinc/25/14/49/181251449.db2.gz RGHYKILTPDOWCO-LLVKDONJSA-N 0 3 311.407 0.222 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2cccnc2)C1 ZINC000257275904 203003897 /nfs/dbraw/zinc/00/38/97/203003897.db2.gz NRLPKZZLMUPHBP-CQSZACIVSA-N 0 3 304.394 0.150 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)CCn2nnc3ccccc32)C1 ZINC000257291619 203017329 /nfs/dbraw/zinc/01/73/29/203017329.db2.gz QHWNUVHXAZLNLU-INIZCTEOSA-N 0 3 317.393 0.346 40 0 DCABHN CN(CC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1)Cc1cccnc1 ZINC000257336560 203058185 /nfs/dbraw/zinc/05/81/85/203058185.db2.gz YOZAMASJPMGWJH-HZPDHXFCSA-N 0 3 318.421 0.181 40 0 DCABHN O=C(NCCCN[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000217345030 257132103 /nfs/dbraw/zinc/13/21/03/257132103.db2.gz ADOOGJKDKSFSRL-CYBMUJFWSA-N 0 3 302.440 0.850 40 0 DCABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1 ZINC000514289526 257216009 /nfs/dbraw/zinc/21/60/09/257216009.db2.gz NGMSNDAYWVZSDB-DLBZAZTESA-N 0 3 323.481 0.627 40 0 biogenic,in-vitro DCABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1 ZINC000514289527 257216452 /nfs/dbraw/zinc/21/64/52/257216452.db2.gz NGMSNDAYWVZSDB-IAGOWNOFSA-N 0 3 323.481 0.627 40 0 biogenic,in-vitro DCABHN CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccco3)C2)C1 ZINC000096049476 395741035 /nfs/dbraw/zinc/74/10/35/395741035.db2.gz BAOLKOVXRYHATH-QGZVFWFLSA-N 0 3 321.421 0.940 40 0 DCABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096080928 395743493 /nfs/dbraw/zinc/74/34/93/395743493.db2.gz LAYMJYJCQJXHHA-OKILXGFUSA-N 0 3 317.389 0.925 40 0 DCABHN CC(C)CN1CCNC(=O)C12CCN(Cc1cnn(C)c1)CC2 ZINC000096230168 395750767 /nfs/dbraw/zinc/75/07/67/395750767.db2.gz CGKRBRCVJRGHLK-UHFFFAOYSA-N 0 3 319.453 0.843 40 0 DCABHN CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(CCc3ccccc3)C[C@H]12 ZINC000247510372 395974956 /nfs/dbraw/zinc/97/49/56/395974956.db2.gz IELQIPRHPRWBHG-BZUAXINKSA-N 0 3 324.446 0.725 40 0 DCABHN CC(C)Cc1cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)n(C)n1 ZINC000257216128 396039180 /nfs/dbraw/zinc/03/91/80/396039180.db2.gz CTEYFDSXXRQZTI-HZPDHXFCSA-N 0 3 320.437 0.900 40 0 DCABHN NC(=O)CCN1CCOC[C@](O)(COc2cccc(F)c2)C1 ZINC000585268892 396643202 /nfs/dbraw/zinc/64/32/02/396643202.db2.gz CSPNAIPETWNUEJ-HNNXBMFYSA-N 0 3 312.341 0.143 40 0 DCABHN OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccnc1 ZINC000585295216 396647975 /nfs/dbraw/zinc/64/79/75/396647975.db2.gz QMILFUZCAZBILX-XWTMOSNGSA-N 0 3 314.385 0.591 40 0 DCABHN CN(C)Cc1cc(CC2(NC3CCN(C)CC3)COC2)no1 ZINC000067897805 415391245 /nfs/dbraw/zinc/39/12/45/415391245.db2.gz NBWNTTDLLPUVAP-UHFFFAOYSA-N 0 3 308.426 0.732 40 0 biogenic,in-vitro DCABHN Cn1cccc1C(=O)N[C@@H]1CN([C@H]2CCOC2)[C@@H]2COC[C@H]12 ZINC000096038587 415573414 /nfs/dbraw/zinc/57/34/14/415573414.db2.gz FYTJHYVPTQSQSG-KYEXWDHISA-N 0 3 305.378 0.243 40 0 DCABHN CNC(=O)c1ccc2c(c1)C1(CCN(CCOC)CC1)C(=O)N2 ZINC000105220494 415631536 /nfs/dbraw/zinc/63/15/36/415631536.db2.gz FLDDGSATGGIODY-UHFFFAOYSA-N 0 3 317.389 0.978 40 0 DCABHN O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1)N1CCCC1 ZINC000008300143 563346189 /nfs/dbraw/zinc/34/61/89/563346189.db2.gz FRNGFZPMTOPYCV-YUELXQCFSA-N 0 3 319.409 0.103 40 0 biogenic,in-vitro DCABHN O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccc1 ZINC000952844602 768908339 /nfs/dbraw/zinc/90/83/39/768908339.db2.gz AOBAEMQOIGLSSQ-DGXTUMSLSA-N 0 3 301.346 0.699 40 0 biogenic,in-vitro DCABHN COc1cccc(N2CCO[C@H](C(=O)NCCN(C)C)C2)c1 ZINC000072356791 191130161 /nfs/dbraw/zinc/13/01/61/191130161.db2.gz RMGQTNIEHCSJLL-HNNXBMFYSA-N 0 3 307.394 0.578 40 0 DCABHN C[NH2+]CC(=O)N1CCC[C@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072383017 191142412 /nfs/dbraw/zinc/14/24/12/191142412.db2.gz IOHXDMRAARMGSO-LBPRGKRZSA-N 0 3 313.365 0.893 40 0 DCABHN CN1CCN([C@H]2CCN(C(=O)c3ccncc3)CC[C@@H]2O)CC1 ZINC000257297889 203023933 /nfs/dbraw/zinc/02/39/33/203023933.db2.gz RJFGOJPDRRMUKO-HOTGVXAUSA-N 0 3 318.421 0.295 40 0 DCABHN O=C(N[C@@H]1CN(CC2CCOCC2)C[C@H]1O)c1cscn1 ZINC000257279162 203008819 /nfs/dbraw/zinc/00/88/19/203008819.db2.gz OFGXYNXNRAEBDY-DGCLKSJQSA-N 0 3 311.407 0.345 40 0 DCABHN CC(=O)N1CCN(Cc2ccc3cc[nH]c3c2)C[C@@H](C(N)=O)C1 ZINC000257311318 203035905 /nfs/dbraw/zinc/03/59/05/203035905.db2.gz UIXIRKVJGSYMJN-OAHLLOKOSA-N 0 3 314.389 0.934 40 0 DCABHN CCn1nc(CC(=O)N(C)CCN(C)C)c2ccccc2c1=O ZINC000019523689 182128574 /nfs/dbraw/zinc/12/85/74/182128574.db2.gz KXZXBDDXNXYRCJ-UHFFFAOYSA-N 0 3 316.405 0.979 40 0 DCABHN CN(C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)CCc1ccccc1 ZINC000020465839 182220932 /nfs/dbraw/zinc/22/09/32/182220932.db2.gz MJRBJGNDMRPFDD-LTIDMASMSA-N 0 3 308.422 0.212 40 0 biogenic,in-vitro DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CC2(O)CCCCC2)C1 ZINC000257326563 256622229 /nfs/dbraw/zinc/62/22/29/256622229.db2.gz WXQSAZQJVGGNQN-ZDUSSCGKSA-N 0 3 311.426 0.208 40 0 DCABHN Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)cn1 ZINC000096058285 395742044 /nfs/dbraw/zinc/74/20/44/395742044.db2.gz YWQITGQFPGOVQH-OWCLPIDISA-N 0 3 318.421 0.926 40 0 DCABHN CN(C)CCN1C(=O)CC[C@@H]2[C@@H]1CCN2Cc1cnn(C)c1 ZINC000096056473 395742184 /nfs/dbraw/zinc/74/21/84/395742184.db2.gz SKELPEWNWVNPKB-CABCVRRESA-N 0 3 305.426 0.547 40 0 DCABHN COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096080930 395743432 /nfs/dbraw/zinc/74/34/32/395743432.db2.gz LAYMJYJCQJXHHA-KBPBESRZSA-N 0 3 317.389 0.925 40 0 DCABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cccs1)C2 ZINC000096108390 395744722 /nfs/dbraw/zinc/74/47/22/395744722.db2.gz MCBUKNYRZFXHGC-DOMZBBRYSA-N 0 3 310.419 0.959 40 0 DCABHN CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1ccco1)C2 ZINC000096108688 395745008 /nfs/dbraw/zinc/74/50/08/395745008.db2.gz JYNJCTCEYJIRCO-CJNGLKHVSA-N 0 3 308.378 0.833 40 0 DCABHN CCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(CCO)CC2 ZINC000096261222 395752428 /nfs/dbraw/zinc/75/24/28/395752428.db2.gz UGIOBECWUTUZNI-CQSZACIVSA-N 0 3 306.410 0.583 40 0 DCABHN CNC(=O)[C@]12CN(CCOC)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251128 395751929 /nfs/dbraw/zinc/75/19/29/395751929.db2.gz ZKRILANDTDZHQC-CZUORRHYSA-N 0 3 319.409 0.140 40 0 DCABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218536394 395842993 /nfs/dbraw/zinc/84/29/93/395842993.db2.gz CLEKZLFEZSGJQW-OBJOEFQTSA-N 0 3 315.366 0.844 40 0 DCABHN CNC(=O)CCc1cc([C@@H]2CCCN(C(=O)CN)C2)nc(C)n1 ZINC000257207049 396037170 /nfs/dbraw/zinc/03/71/70/396037170.db2.gz BGDRFDYCXUHBJV-GFCCVEGCSA-N 0 3 319.409 0.128 40 0 DCABHN CN1CCC(NC2(Cc3cc(C(C)(C)O)on3)COC2)CC1 ZINC000067897927 396038013 /nfs/dbraw/zinc/03/80/13/396038013.db2.gz PQSSLTIJOYWHTD-UHFFFAOYSA-N 0 3 309.410 0.897 40 0 biogenic,in-vitro DCABHN CO[C@@H]1CCN(C(=O)/C=C/CN(C)C)C[C@H]1CC(=O)N(C)C ZINC000585290638 396647251 /nfs/dbraw/zinc/64/72/51/396647251.db2.gz ZCTYTYCBJPGHOP-JLVOYYQZSA-N 0 3 311.426 0.446 40 0 DCABHN CC(C)CN1CCO[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2C1 ZINC000585108010 396640009 /nfs/dbraw/zinc/64/00/09/396640009.db2.gz VIJJEXIXOLPVQF-QWHCGFSZSA-N 0 3 307.398 0.244 40 0 DCABHN CN(C)CCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009910073 415144393 /nfs/dbraw/zinc/14/43/93/415144393.db2.gz BAGBYJIQMQFQBS-UHFFFAOYSA-N 0 3 302.378 0.504 40 0 DCABHN COCCN1CCO[C@@H]2CN(C(=O)c3cnoc3C)CC[C@@H]2C1 ZINC000096249605 415576448 /nfs/dbraw/zinc/57/64/48/415576448.db2.gz ZZDMSCYALOXOHL-UKRRQHHQSA-N 0 3 323.393 0.792 40 0 DCABHN CC(C)NC(=O)N1CCN(CC2CC2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036118 415570933 /nfs/dbraw/zinc/57/09/33/415570933.db2.gz AGOWYPROFIDKNI-QGZVFWFLSA-N 0 3 322.453 0.981 40 0 DCABHN O=C(N1CCCO1)[C@]12COC[C@H]1CN(Cc1cccnc1)C2 ZINC000096110138 415577401 /nfs/dbraw/zinc/57/74/01/415577401.db2.gz VFICDAXOCYOQDE-GDBMZVCRSA-N 0 3 303.362 0.694 40 0 DCABHN Cn1ccnc1C(=O)N[C@@H]1CN([C@@H]2CCOC2)[C@@H]2CCCO[C@H]12 ZINC000096185935 279373470 /nfs/dbraw/zinc/37/34/70/279373470.db2.gz UHFGZSZOUFWVAU-AAVRWANBSA-N 0 3 320.393 0.171 40 0 DCABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3nccn3C)CCO2)n1 ZINC000257224307 280539544 /nfs/dbraw/zinc/53/95/44/280539544.db2.gz FBFWSLLEITULJW-CYBMUJFWSA-N 0 3 301.350 0.919 40 0 DCABHN COCCN1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000257274248 203000848 /nfs/dbraw/zinc/00/08/48/203000848.db2.gz NKEVHHVFXQEDIF-CYBMUJFWSA-N 0 3 322.409 0.708 40 0 DCABHN CN1CCN(C(=O)C2=Cc3ccccc3OC2)C[C@H](C(N)=O)C1 ZINC000257299051 203022914 /nfs/dbraw/zinc/02/29/14/203022914.db2.gz RONJVTHXINGFKA-CQSZACIVSA-N 0 3 315.373 0.338 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(Cc2cccc(OCCO)c2)C1 ZINC000257277278 203006490 /nfs/dbraw/zinc/00/64/90/203006490.db2.gz NXERYFDQYJBZBU-HNNXBMFYSA-N 0 3 321.421 0.167 40 0 DCABHN CC(=O)Nc1cnn(CC2CCN([C@H]3COC[C@H]3O)CC2)c1 ZINC000257312554 203037490 /nfs/dbraw/zinc/03/74/90/203037490.db2.gz UOMMJXOTBVRTSB-LSDHHAIUSA-N 0 3 308.382 0.313 40 0 DCABHN CC(=O)NCc1c[nH]c([C@@H]2CCN(C(=O)C3(N)CCCC3)C2)n1 ZINC000257338482 203061314 /nfs/dbraw/zinc/06/13/14/203061314.db2.gz YXPNWQBLJOEHMK-GFCCVEGCSA-N 0 3 319.409 0.633 40 0 DCABHN CC[NH+](CC)CCCOC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O ZINC000017020784 182068220 /nfs/dbraw/zinc/06/82/20/182068220.db2.gz PKAHNGYBKCLKLY-FPLPWBNLSA-N 0 3 309.366 0.660 40 0 DCABHN CN1CCN(C[C@@H]2OC[C@H](NCc3ccc(F)cc3)[C@H]2O)CC1 ZINC000514289441 257216369 /nfs/dbraw/zinc/21/63/69/257216369.db2.gz UJNVZBBOVULGAZ-YESZJQIVSA-N 0 3 323.412 0.291 40 0 biogenic,in-vitro DCABHN CCN1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514290426 257215020 /nfs/dbraw/zinc/21/50/20/257215020.db2.gz ZDPXIKBYGJIGGV-HZPDHXFCSA-N 0 3 302.422 0.407 40 0 biogenic,in-vitro DCABHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@H]21 ZINC000096185630 395747814 /nfs/dbraw/zinc/74/78/14/395747814.db2.gz UDARFPDYJFNEIJ-CBBWQLFWSA-N 0 3 319.409 0.378 40 0 DCABHN c1nc2n(c1CN1CCOCC1)CCN(C1CCOCC1)CC2 ZINC000096196919 395748366 /nfs/dbraw/zinc/74/83/66/395748366.db2.gz AIKNCQUZLZTROH-UHFFFAOYSA-N 0 3 320.437 0.752 40 0 DCABHN COCC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096064688 395742712 /nfs/dbraw/zinc/74/27/12/395742712.db2.gz BBSRVUPPODVSHQ-KBPBESRZSA-N 0 3 309.410 0.321 40 0 DCABHN CNC(=O)CN1CCC2(CCCN(Cc3c[nH]cn3)C2)CC1 ZINC000096071813 395743168 /nfs/dbraw/zinc/74/31/68/395743168.db2.gz CMFJASJOLUSJOY-UHFFFAOYSA-N 0 3 305.426 0.834 40 0 DCABHN COCCN1CC[C@@]2(C1)COCCN(C(=O)c1ccccn1)C2 ZINC000096202004 395749590 /nfs/dbraw/zinc/74/95/90/395749590.db2.gz ASRLQSWDKDPGLH-KRWDZBQOSA-N 0 3 319.405 0.893 40 0 DCABHN COc1ncccc1CN1C[C@@H]2[C@H](C1)OCCN2CCN(C)C ZINC000096246465 395751494 /nfs/dbraw/zinc/75/14/94/395751494.db2.gz UVDSWUWDHIIHLH-CVEARBPZSA-N 0 3 320.437 0.537 40 0 DCABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)CC[C@H]21 ZINC000247946951 395980362 /nfs/dbraw/zinc/98/03/62/395980362.db2.gz BCMPYLDEQWLUQO-HUUCEWRRSA-N 0 3 321.425 0.277 40 0 DCABHN Cc1cccc2nc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)cn21 ZINC000257208169 396036719 /nfs/dbraw/zinc/03/67/19/396036719.db2.gz BLAMRCSJGANZMB-HUUCEWRRSA-N 0 3 314.389 0.924 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H]1O ZINC000257220545 396038600 /nfs/dbraw/zinc/03/86/00/396038600.db2.gz DLEPGSVOHLQQBF-CHWSQXEVSA-N 0 3 301.350 0.014 40 0 DCABHN CN(C)C[C@]1(O)CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000257227792 396041305 /nfs/dbraw/zinc/04/13/05/396041305.db2.gz FQXKBYWBJZQNSY-CYBMUJFWSA-N 0 3 320.361 0.652 40 0 DCABHN CC(C)CN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N(C)C ZINC000096250926 415575468 /nfs/dbraw/zinc/57/54/68/415575468.db2.gz RPNMIQNYEBFKJW-YNEHKIRRSA-N 0 3 302.440 0.466 40 0 DCABHN CN(C)C(=O)c1cnn(CC2CCN([C@@H]3COC[C@H]3O)CC2)c1 ZINC000257267815 289034970 /nfs/dbraw/zinc/03/49/70/289034970.db2.gz MIWZKQYULJKJBN-HUUCEWRRSA-N 0 3 322.409 0.057 40 0 DCABHN O=C(c1cccc([C@@H]2CCCN(CCO)C2)n1)N1CCOCC1 ZINC000072358298 191130342 /nfs/dbraw/zinc/13/03/42/191130342.db2.gz SAWMPGKHGSWIRI-CQSZACIVSA-N 0 3 319.405 0.726 40 0 DCABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)CCc1ccccc1F ZINC000257330209 203052596 /nfs/dbraw/zinc/05/25/96/203052596.db2.gz XNJURCHIRMASCK-OCCSQVGLSA-N 0 3 307.369 0.551 40 0 DCABHN CN(C)C(=O)C1(CCCc2cnccn2)CCN(CCO)CC1 ZINC000257320662 203044942 /nfs/dbraw/zinc/04/49/42/203044942.db2.gz VXVAFBHNVCNGII-UHFFFAOYSA-N 0 3 320.437 0.962 40 0 DCABHN CN1CCN(CCCNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000022829644 182336120 /nfs/dbraw/zinc/33/61/20/182336120.db2.gz BPGSCYMYKUKASJ-INIZCTEOSA-N 0 3 319.405 0.580 40 0 DCABHN COCC(=O)N[C@H]1CO[C@@H](CN(C)CCc2ccccc2)[C@@H]1O ZINC000514289071 257215992 /nfs/dbraw/zinc/21/59/92/257215992.db2.gz RBWYFNIBMRDUBZ-YQQAZPJKSA-N 0 3 322.405 0.052 40 0 biogenic,in-vitro DCABHN CC(=O)N[C@]12CN(C)C[C@H]1CN(C(=O)Cc1ccccc1)CC2 ZINC000019711721 395691022 /nfs/dbraw/zinc/69/10/22/395691022.db2.gz JWKBDKFBPXGLQG-FUHWJXTLSA-N 0 3 315.417 0.898 40 0 DCABHN O=C(N[C@H]1CN(C[C@@H]2CCOC2)[C@@H]2CCCO[C@@H]21)c1ccno1 ZINC000096186899 395747762 /nfs/dbraw/zinc/74/77/62/395747762.db2.gz UPZYMIGPFFCLMH-RMRHIDDWSA-N 0 3 321.377 0.673 40 0 DCABHN O=C(NC1CC1)[C@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@@H]2O1 ZINC000096066291 395742655 /nfs/dbraw/zinc/74/26/55/395742655.db2.gz HLVXCPQMYJCQBP-IMJJTQAJSA-N 0 3 307.438 0.840 40 0 DCABHN CN(C)CCN1CC[C@@]2(CC(C(=O)NCc3ccco3)=NO2)C1 ZINC000096225883 395750336 /nfs/dbraw/zinc/75/03/36/395750336.db2.gz PYUASDHUBBATCP-MRXNPFEDSA-N 0 3 320.393 0.678 40 0 DCABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(CN)CO ZINC000218144634 395841481 /nfs/dbraw/zinc/84/14/81/395841481.db2.gz GFGHAPQXAMBNIF-MELADBBJSA-N 0 3 313.375 0.253 40 0 DCABHN Cc1ccc(OC[C@@]2(O)COCCN(CCC(N)=O)C2)cc1 ZINC000585268985 396642811 /nfs/dbraw/zinc/64/28/11/396642811.db2.gz GNTCWDUJTHCVDL-INIZCTEOSA-N 0 3 308.378 0.313 40 0 DCABHN C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(C)c2cc(F)ccc12 ZINC000585293890 396648369 /nfs/dbraw/zinc/64/83/69/396648369.db2.gz BNKXHHAZPAJXSI-AKVMBCECSA-N 0 3 308.353 0.604 40 0 DCABHN COC[C@H]1CN(C(=O)c2cnn(C)c2)CC12CCN(C)CC2 ZINC000585103633 396639320 /nfs/dbraw/zinc/63/93/20/396639320.db2.gz QBWRIMQOSJLDIE-CQSZACIVSA-N 0 3 306.410 0.851 40 0 DCABHN CCOC[C@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)N1C ZINC000096207068 286175455 /nfs/dbraw/zinc/17/54/55/286175455.db2.gz AVTOHHVHEGDGNU-CYBMUJFWSA-N 0 3 319.471 0.758 40 0 DCABHN CC(C)NC(=O)N1CCN(CC2CC2)C[C@@]2(CNC(=O)C2)C1 ZINC000096036018 415571940 /nfs/dbraw/zinc/57/19/40/415571940.db2.gz CABWFQYGGOWNTJ-MRXNPFEDSA-N 0 3 308.426 0.638 40 0 DCABHN C(C1CC1)N1CCOC[C@]2(CC[C@@H](CN3CCOCC3)O2)C1 ZINC000107739705 415671475 /nfs/dbraw/zinc/67/14/75/415671475.db2.gz IFRHBCQUXJFFCV-IRXDYDNUSA-N 0 3 310.438 0.979 40 0 DCABHN CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CCN(C)C)C1 ZINC000248088373 416333159 /nfs/dbraw/zinc/33/31/59/416333159.db2.gz DZSQGUWDQDSCDG-CQSZACIVSA-N 0 3 314.455 0.626 40 0 DCABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN(CCO)CCO)C2 ZINC000009970715 281541751 /nfs/dbraw/zinc/54/17/51/281541751.db2.gz YFIFEYBQMMKHOO-KLZNWCGWSA-N 0 3 315.454 0.865 40 0 DCABHN CS(=O)(=O)CCNC(=O)N1CCC[C@H](N2CCCC2)CC1 ZINC000153518980 525123918 /nfs/dbraw/zinc/12/39/18/525123918.db2.gz NAAQNAMQSIIZIE-ZDUSSCGKSA-N 0 3 317.455 0.691 40 0 DCABHN Cn1cc([C@H]2CC(=O)NC23CCN([C@@H]2CCOC2)CC3)cn1 ZINC000096199828 282677239 /nfs/dbraw/zinc/67/72/39/282677239.db2.gz FPLNFVWQQSMKNE-ZIAGYGMSSA-N 0 3 304.394 0.647 40 0 DCABHN Cc1cc(Nc2cnccn2)nc([C@H]2CCN(C(=O)CN)C2)n1 ZINC000072382992 191142752 /nfs/dbraw/zinc/14/27/52/191142752.db2.gz TWGZLMRZXYMTHQ-NSHDSACASA-N 0 3 313.365 0.593 40 0 DCABHN CC(=O)N1CCN(Cc2ccc3cc[nH]c3c2)C[C@H](C(N)=O)C1 ZINC000257311317 203035583 /nfs/dbraw/zinc/03/55/83/203035583.db2.gz UIXIRKVJGSYMJN-HNNXBMFYSA-N 0 3 314.389 0.934 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)c2cccc(-n3cnnc3)c2)C[C@H]1O ZINC000257306665 203032713 /nfs/dbraw/zinc/03/27/13/203032713.db2.gz SVGXIBYGQUSVFY-ZIAGYGMSSA-N 0 3 301.350 0.014 40 0 DCABHN CS(=O)(=O)N[C@H]1COC[C@@H]2CN(Cc3cccs3)C[C@@H]21 ZINC000306143550 533417353 /nfs/dbraw/zinc/41/73/53/533417353.db2.gz YFJDZYAQZZVRRB-DRZSPHRISA-N 0 3 316.448 0.744 40 0 DCABHN CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1C ZINC000096190043 395748536 /nfs/dbraw/zinc/74/85/36/395748536.db2.gz JTTZTKMBYQBPCK-MCIONIFRSA-N 0 3 317.389 0.666 40 0 DCABHN CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(CCO)CC2 ZINC000096261223 395752249 /nfs/dbraw/zinc/75/22/49/395752249.db2.gz UGIOBECWUTUZNI-AWEZNQCLSA-N 0 3 306.410 0.583 40 0 DCABHN OCCN1CCOC[C@@]2(C[C@H](CNc3ccccn3)CO2)C1 ZINC000096240676 395750973 /nfs/dbraw/zinc/75/09/73/395750973.db2.gz WCVQPAPZPRKBSH-GDBMZVCRSA-N 0 3 307.394 0.593 40 0 DCABHN CN(C)CCOCc1nnc2n1CCN(C(=O)c1ccc[nH]1)C2 ZINC000096259020 395751794 /nfs/dbraw/zinc/75/17/94/395751794.db2.gz UBVRCTDNLAPMOE-UHFFFAOYSA-N 0 3 318.381 0.340 40 0 DCABHN COC[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133737 395841255 /nfs/dbraw/zinc/84/12/55/395841255.db2.gz FZKSKURBGOAIMN-IHRRRGAJSA-N 0 3 313.375 0.517 40 0 DCABHN CC(C)c1noc(CCC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)n1 ZINC000257265484 396045083 /nfs/dbraw/zinc/04/50/83/396045083.db2.gz LYVHMVISLAPKMK-CHWSQXEVSA-N 0 3 322.409 0.793 40 0 DCABHN CN(C)C(=O)c1cnn(CC2CCN([C@H]3COC[C@H]3O)CC2)c1 ZINC000257267816 396045383 /nfs/dbraw/zinc/04/53/83/396045383.db2.gz MIWZKQYULJKJBN-LSDHHAIUSA-N 0 3 322.409 0.057 40 0 DCABHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CCn2ccnc2)C1 ZINC000286283874 396385970 /nfs/dbraw/zinc/38/59/70/396385970.db2.gz HCTVIFIXZKQUHT-GJZGRUSLSA-N 0 3 306.410 0.985 40 0 DCABHN CO[C@H]1CN(C(=O)/C=C/CN(C)C)C[C@@H]1CC(=O)N1CCCC1 ZINC000585289767 396647492 /nfs/dbraw/zinc/64/74/92/396647492.db2.gz NLRXZZQQOLYQBK-KXLSMFKISA-N 0 3 323.437 0.590 40 0 DCABHN CN(C)CCNc1nc(NC[C@H]2CCCO2)cc(C2CC2)n1 ZINC000329065110 416148490 /nfs/dbraw/zinc/14/84/90/416148490.db2.gz XPRSALBBHJVLKA-CYBMUJFWSA-N 0 3 305.426 0.762 40 0 DCABHN COc1ccc(C)cc1CC(=O)N1CCN(C)C[C@H](C(N)=O)C1 ZINC000257332517 203054643 /nfs/dbraw/zinc/05/46/43/203054643.db2.gz XXQIKOPHWJJHQN-AWEZNQCLSA-N 0 3 319.405 0.422 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)CCN2CCc3ccccc32)C1 ZINC000257314892 203039177 /nfs/dbraw/zinc/03/91/77/203039177.db2.gz UZAIEUYTMIKROR-SFHVURJKSA-N 0 3 317.433 0.964 40 0 DCABHN OC[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@H](N2CCCC2)[C@@H]1O ZINC000020465050 182220969 /nfs/dbraw/zinc/22/09/69/182220969.db2.gz DOIDVTCBOODJLE-LTIDMASMSA-N 0 3 324.396 0.500 40 0 biogenic,in-vitro DCABHN CCN1C(C)=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C1=O ZINC000096261449 285179503 /nfs/dbraw/zinc/17/95/03/285179503.db2.gz LWBVGLCVELPQER-DVOMOZLQSA-N 0 3 306.410 0.436 40 0 DCABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)CN(C)C)n1 ZINC000019760491 395691004 /nfs/dbraw/zinc/69/10/04/395691004.db2.gz CLMRIKGMZZRXJR-ZDUSSCGKSA-N 0 3 320.441 0.487 40 0 DCABHN Cn1ccnc1C(=O)N[C@H]1CN([C@H]2CCOC2)[C@@H]2CCCO[C@@H]21 ZINC000096186888 395748035 /nfs/dbraw/zinc/74/80/35/395748035.db2.gz UHFGZSZOUFWVAU-IGQOVBAYSA-N 0 3 320.393 0.171 40 0 DCABHN Cc1cnc(C(=O)N2CCC[C@]3(C2)COCCN(C)C3)cn1 ZINC000096076819 395743146 /nfs/dbraw/zinc/74/31/46/395743146.db2.gz MYAOGIKKBVUTHE-INIZCTEOSA-N 0 3 304.394 0.969 40 0 DCABHN CN(C)CCN1CC[C@@]2(CCCN(Cc3nccn3C)C2)C1=O ZINC000096073941 395743365 /nfs/dbraw/zinc/74/33/65/395743365.db2.gz HJLJIRWRBYJUKH-QGZVFWFLSA-N 0 3 319.453 0.796 40 0 DCABHN COCCN1CC[C@@]2(C1)COCCN(C(=O)c1cc(C)on1)C2 ZINC000096202001 395749498 /nfs/dbraw/zinc/74/94/98/395749498.db2.gz GYBCUKQMCCWBMQ-INIZCTEOSA-N 0 3 323.393 0.794 40 0 DCABHN Cn1cc(CN2CCC3(CC2)C(=O)NCCN3CC2CC2)cn1 ZINC000096230420 395751148 /nfs/dbraw/zinc/75/11/48/395751148.db2.gz VHLFZAZFLDVFGI-UHFFFAOYSA-N 0 3 317.437 0.597 40 0 DCABHN CN(C)C(=O)CN1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096245302 395751456 /nfs/dbraw/zinc/75/14/56/395751456.db2.gz DVBDOXLHUHSQFB-ZFWWWQNUSA-N 0 3 319.380 0.804 40 0 DCABHN CN1CCC(C(=O)N2CCO[C@@H](c3cccc(N)n3)C2)CC1 ZINC000257258279 396044552 /nfs/dbraw/zinc/04/45/52/396044552.db2.gz KTDDAQHZRHNKNN-CQSZACIVSA-N 0 3 304.394 0.906 40 0 DCABHN Cn1cc(CNC[C@@H]2COC[C@@H](O)[C@H]2O)c2cc(F)ccc21 ZINC000585286072 396646024 /nfs/dbraw/zinc/64/60/24/396646024.db2.gz IYSTTWRLXIYOAQ-LYRGGWFBSA-N 0 3 308.353 0.775 40 0 DCABHN c1cc(CN2CCN3CCCC[C@H]3C2)nc(N2CCOCC2)n1 ZINC000253588844 416334692 /nfs/dbraw/zinc/33/46/92/416334692.db2.gz VUBDWJHMLFXSDK-INIZCTEOSA-N 0 3 317.437 0.983 40 0 DCABHN O=S1(=O)C[C@H](NCCNCc2cccc(Cl)c2)[C@H](O)C1 ZINC000575421408 417535924 /nfs/dbraw/zinc/53/59/24/417535924.db2.gz QKOUQXKPYZDAAX-QWHCGFSZSA-N 0 3 318.826 0.177 40 0 DCABHN Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000072336070 282007113 /nfs/dbraw/zinc/00/71/13/282007113.db2.gz LNKNFXBZVUVFHM-OCCSQVGLSA-N 0 3 316.405 0.662 40 0 DCABHN COC[C@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)N1C ZINC000096209810 293190098 /nfs/dbraw/zinc/19/00/98/293190098.db2.gz RLDNNGWAGAKZBS-GFCCVEGCSA-N 0 3 305.444 0.368 40 0 DCABHN CN(C)c1cnnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000224309194 333408187 /nfs/dbraw/zinc/40/81/87/333408187.db2.gz QWLOOAVDIGHSCJ-CYBMUJFWSA-N 0 3 305.382 0.370 40 0 DCABHN O=C(c1cnn2cccnc12)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257243310 333806251 /nfs/dbraw/zinc/80/62/51/333806251.db2.gz IGISCVYZUNFFIH-CHWSQXEVSA-N 0 3 301.350 0.010 40 0 DCABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cnn(C)c2)c1 ZINC000257292872 203016845 /nfs/dbraw/zinc/01/68/45/203016845.db2.gz QNGRSQGVCOAYAR-MRXNPFEDSA-N 0 3 313.405 0.926 40 0 DCABHN CC(=O)Nc1cnn(CC2CCN([C@@H]3COC[C@@H]3O)CC2)c1 ZINC000257312551 203036015 /nfs/dbraw/zinc/03/60/15/203036015.db2.gz UOMMJXOTBVRTSB-CABCVRRESA-N 0 3 308.382 0.313 40 0 DCABHN Cn1cc(C(=O)N[C@@H]2CN(CC3CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC000096185924 395748088 /nfs/dbraw/zinc/74/80/88/395748088.db2.gz JIBPPXJPPUBXQQ-RBSFLKMASA-N 0 3 304.394 0.792 40 0 DCABHN O=C([C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1)N1CCOCC1 ZINC000096042944 395740934 /nfs/dbraw/zinc/74/09/34/395740934.db2.gz TWUXQYQAPAIYGP-CWRNSKLLSA-N 0 3 324.421 0.504 40 0 DCABHN Cn1cc(CN2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cn1 ZINC000096050515 395741652 /nfs/dbraw/zinc/74/16/52/395741652.db2.gz DPQOWGJPRKOLKW-INIZCTEOSA-N 0 3 314.393 0.783 40 0 DCABHN Cc1noc([C@@H]2CNC(=O)[C@@H]3CCN([C@@H]4CCOC4)CC[C@@H]32)n1 ZINC000096066431 395742671 /nfs/dbraw/zinc/74/26/71/395742671.db2.gz INKRETREVADVKA-XJFOESAGSA-N 0 3 320.393 0.709 40 0 DCABHN COc1cccc(CN2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)c1 ZINC000096263989 395752433 /nfs/dbraw/zinc/75/24/33/395752433.db2.gz ODZLFQIDLQOXMY-ILXRZTDVSA-N 0 3 324.402 0.340 40 0 DCABHN CCOC(=O)[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218543250 395842705 /nfs/dbraw/zinc/84/27/05/395842705.db2.gz RLJKFTSIVROBMQ-DYEKYZERSA-N 0 3 315.366 0.844 40 0 DCABHN Cc1ccnc([C@@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257214669 396038939 /nfs/dbraw/zinc/03/89/39/396038939.db2.gz CMYPYGPMKRYWNB-CYBMUJFWSA-N 0 3 324.450 0.998 40 0 DCABHN COCCOc1cccc(CNC[C@@H]2COC[C@@H](O)[C@H]2O)c1 ZINC000585286599 396646943 /nfs/dbraw/zinc/64/69/43/396646943.db2.gz MUBGGEHOOMBZOK-BMFZPTHFSA-N 0 3 311.378 0.170 40 0 DCABHN CN(C)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)[C@@H]2COC[C@H]12 ZINC000107201362 415660223 /nfs/dbraw/zinc/66/02/23/415660223.db2.gz NEWOVSKHILPQCA-MGPQQGTHSA-N 0 3 314.382 0.775 40 0 DCABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@]1(CN)CO ZINC000242495426 257119899 /nfs/dbraw/zinc/11/98/99/257119899.db2.gz GFGHAPQXAMBNIF-MCIONIFRSA-N 0 3 313.375 0.253 40 0 DCABHN CN(C)S(=O)(=O)c1ccc(N2CCNCC2)c(Cl)c1 ZINC000035314872 395720498 /nfs/dbraw/zinc/72/04/98/395720498.db2.gz HMUZTFQNCNYSPL-UHFFFAOYSA-N 0 3 303.815 1.000 40 0 DCABHN CN(C)CCN1CCOC[C@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049769 395741531 /nfs/dbraw/zinc/74/15/31/395741531.db2.gz IFYZKKREKIFVBZ-QGZVFWFLSA-N 0 3 323.437 0.744 40 0 DCABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)CC[C@@H]21 ZINC000096082193 395743904 /nfs/dbraw/zinc/74/39/04/395743904.db2.gz BCMPYLDEQWLUQO-LSDHHAIUSA-N 0 3 321.425 0.277 40 0 DCABHN COCCN1CC[C@]2(C1)COCCN(C(=O)c1cc(C)on1)C2 ZINC000096202002 395749443 /nfs/dbraw/zinc/74/94/43/395749443.db2.gz GYBCUKQMCCWBMQ-MRXNPFEDSA-N 0 3 323.393 0.794 40 0 DCABHN Cc1c(CCC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)cnn1C ZINC000257217422 396038589 /nfs/dbraw/zinc/03/85/89/396038589.db2.gz CYWCKYVLOFBKBQ-HUUCEWRRSA-N 0 3 306.410 0.329 40 0 DCABHN CCc1nccn1CCC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257241029 396042612 /nfs/dbraw/zinc/04/26/12/396042612.db2.gz HWIUZGUJNICOBL-ZIAGYGMSSA-N 0 3 306.410 0.503 40 0 DCABHN CNC(=O)CCc1cc(C)nc([C@@H]2CCCN2C(=O)CN)n1 ZINC000257251930 396043384 /nfs/dbraw/zinc/04/33/84/396043384.db2.gz JSWJXXXGGKIALU-LBPRGKRZSA-N 0 3 305.382 0.086 40 0 DCABHN COc1ccc2[nH]c(CN(C)C[C@@H]3COC[C@@H](O)[C@H]3O)cc2c1 ZINC000585291259 396648500 /nfs/dbraw/zinc/64/85/00/396648500.db2.gz OANZQTRMFAACMU-JLZZUVOBSA-N 0 3 320.389 0.977 40 0 DCABHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN([C@H]3CCOC3)CC[C@@H]21 ZINC000107769964 415671991 /nfs/dbraw/zinc/67/19/91/415671991.db2.gz FLMVNACLOOLBHQ-QZWWFDLISA-N 0 3 318.421 0.983 40 0 DCABHN CC(C)Cn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(C)C)C[C@@H]21 ZINC000306125819 416104846 /nfs/dbraw/zinc/10/48/46/416104846.db2.gz DCYQOTMIQJZATB-QWHCGFSZSA-N 0 3 306.410 0.889 40 0 DCABHN Cc1cc(N)cc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257272040 416335159 /nfs/dbraw/zinc/33/51/59/416335159.db2.gz NAVYWURETKGKFM-GFCCVEGCSA-N 0 3 300.384 0.152 40 0 DCABHN Cn1ccnc1C(=O)N[C@@H]1CN([C@H]2CCOC2)[C@@H]2CCCO[C@H]12 ZINC000096185936 279373461 /nfs/dbraw/zinc/37/34/61/279373461.db2.gz UHFGZSZOUFWVAU-REWJHTLYSA-N 0 3 320.393 0.171 40 0 DCABHN CC(=O)N1CCOC[C@@]2(CC[C@H](CNCc3ccncc3)O2)C1 ZINC000306131277 526638471 /nfs/dbraw/zinc/63/84/71/526638471.db2.gz JZXDOBCPBIRXKS-IAGOWNOFSA-N 0 3 319.405 0.968 40 0 DCABHN Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2cccnc2)[C@@H]1O ZINC000952844858 768910224 /nfs/dbraw/zinc/91/02/24/768910224.db2.gz OQXOAUHUXCIKNX-DGXTUMSLSA-N 0 3 316.361 0.402 40 0 biogenic,in-vitro DCABHN Cn1c2ccccc2n(CC(=O)NCC2=CCN(C)CC2)c1=O ZINC000271869909 209283153 /nfs/dbraw/zinc/28/31/53/209283153.db2.gz LLEJUXKXLUHUOI-UHFFFAOYSA-N 0 3 314.389 0.718 40 0 DCABHN COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](N(C)C)C3)CC2)cc1 ZINC000257286699 203014116 /nfs/dbraw/zinc/01/41/16/203014116.db2.gz PMPYKKNNPBDJOZ-HUUCEWRRSA-N 0 3 304.390 0.860 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000257320207 203045415 /nfs/dbraw/zinc/04/54/15/203045415.db2.gz VVTQHMYFXRNNPZ-INIZCTEOSA-N 0 3 315.377 0.406 40 0 DCABHN COc1ccc([C@@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1 ZINC000095533701 257137415 /nfs/dbraw/zinc/13/74/15/257137415.db2.gz PGJYGSIECMJSKS-OAHLLOKOSA-N 0 3 317.393 0.736 40 0 DCABHN CCCS(=O)(=O)N[C@H]1CO[C@@H](CN2CCC(C)CC2)[C@@H]1O ZINC000514288996 257216756 /nfs/dbraw/zinc/21/67/56/257216756.db2.gz LZCWSZZDXSVDQA-MELADBBJSA-N 0 3 320.455 0.176 40 0 biogenic,in-vitro DCABHN O=C(NCCN1CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000035313977 395720065 /nfs/dbraw/zinc/72/00/65/395720065.db2.gz NFFWLHOVSAODLK-UHFFFAOYSA-N 0 3 300.366 0.878 40 0 DCABHN Cn1cc(N2CC3(CCN([C@H]4CCOC4)CC3)OCC2=O)cn1 ZINC000096201458 395748803 /nfs/dbraw/zinc/74/88/03/395748803.db2.gz NUJLVIOQLNAKFI-ZDUSSCGKSA-N 0 3 320.393 0.407 40 0 DCABHN CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccco3)C2)C1 ZINC000096049475 395741083 /nfs/dbraw/zinc/74/10/83/395741083.db2.gz BAOLKOVXRYHATH-KRWDZBQOSA-N 0 3 321.421 0.940 40 0 DCABHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(Cc3ccco3)C[C@@H]2C1 ZINC000096054133 395741539 /nfs/dbraw/zinc/74/15/39/395741539.db2.gz GLFDEBQUUCGLMH-CHWSQXEVSA-N 0 3 313.423 0.840 40 0 DCABHN CN(C)CCN1CCOC[C@]2(CCCN(c3ncccn3)C2)C1 ZINC000096076363 395743001 /nfs/dbraw/zinc/74/30/01/395743001.db2.gz KSRMAPMHYZEFTO-QGZVFWFLSA-N 0 3 319.453 0.957 40 0 DCABHN CNC(=O)CO[C@H]1CO[C@]2(C1)CCCN(Cc1cnc[nH]1)C2 ZINC000096073550 395743245 /nfs/dbraw/zinc/74/32/45/395743245.db2.gz OQFKRDPPUDGWME-HIFRSBDPSA-N 0 3 308.382 0.296 40 0 DCABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccc(C)o1)C2 ZINC000096108394 395745133 /nfs/dbraw/zinc/74/51/33/395745133.db2.gz CMVPENJAWDMRFN-CJNGLKHVSA-N 0 3 308.378 0.799 40 0 DCABHN O=c1n(Cc2ccccc2)nc2c(N3CCNCC3)nccn12 ZINC000096530664 395754227 /nfs/dbraw/zinc/75/42/27/395754227.db2.gz UOQGOSKNPLRONA-UHFFFAOYSA-N 0 3 310.361 0.349 40 0 DCABHN Cn1cc(N2CC3(CCN([C@@H]4CCOC4)CC3)OCC2=O)cn1 ZINC000096201457 395749020 /nfs/dbraw/zinc/74/90/20/395749020.db2.gz NUJLVIOQLNAKFI-CYBMUJFWSA-N 0 3 320.393 0.407 40 0 DCABHN Cc1nc(CN2C[C@@H]3CN(CC(=O)N(C)C)C[C@@H]3C2=O)cs1 ZINC000096245098 395751467 /nfs/dbraw/zinc/75/14/67/395751467.db2.gz GDSKMLIVCXSBSS-AAEUAGOBSA-N 0 3 322.434 0.430 40 0 DCABHN CN1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)NCC2CC2)C1 ZINC000096251186 395751900 /nfs/dbraw/zinc/75/19/00/395751900.db2.gz BXMSAQHITSZHOD-RHSMWYFYSA-N 0 3 315.421 0.903 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)CN(C)Cc2cccnc2)C1 ZINC000257224201 396040026 /nfs/dbraw/zinc/04/00/26/396040026.db2.gz FASKOURNBOCGEG-INIZCTEOSA-N 0 3 306.410 0.038 40 0 DCABHN CNCC(=O)N1CCC2(CO[C@H](Cc3cnccn3)C2)CC1 ZINC000257228593 396040992 /nfs/dbraw/zinc/04/09/92/396040992.db2.gz FULXUMADTSNUHR-CQSZACIVSA-N 0 3 304.394 0.636 40 0 DCABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cnccn2)c1 ZINC000257251499 396043531 /nfs/dbraw/zinc/04/35/31/396043531.db2.gz JQZWOUMXIRTJTN-INIZCTEOSA-N 0 3 311.389 0.983 40 0 DCABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cncn2C)c1 ZINC000257254353 396044767 /nfs/dbraw/zinc/04/47/67/396044767.db2.gz KCRSPKOSVBDPML-MRXNPFEDSA-N 0 3 313.405 0.926 40 0 DCABHN COCCOc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1OC ZINC000257295771 396046300 /nfs/dbraw/zinc/04/63/00/396046300.db2.gz QZTRLXUXMBZECD-GJZGRUSLSA-N 0 3 324.421 0.827 40 0 DCABHN CN(C)C/C=C/C(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585289009 396647609 /nfs/dbraw/zinc/64/76/09/396647609.db2.gz CTVSXVLFOMRGKW-AHKGRUIUSA-N 0 3 318.417 0.937 40 0 DCABHN C[NH+]1CCC2(CC1)C(=O)N([N-]C(N)=O)C(=O)[C@@H]2c1ccccc1 ZINC000001640758 415126639 /nfs/dbraw/zinc/12/66/39/415126639.db2.gz GOUUWWGKEDNESJ-LBPRGKRZSA-N 0 3 316.361 0.434 40 0 DCABHN CN(C)Cc1cc(=O)n2c(n1)CN(CC1CCOCC1)CCC2 ZINC000096059570 415576248 /nfs/dbraw/zinc/57/62/48/415576248.db2.gz CJLOKCUJJBIOGN-UHFFFAOYSA-N 0 3 320.437 0.937 40 0 DCABHN CN(CC(=O)N1CC[C@H]2OCC(=O)N(C)[C@H]2C1)C1CCCC1 ZINC000257273545 416335066 /nfs/dbraw/zinc/33/50/66/416335066.db2.gz NHBOFAPTTJXPJZ-UONOGXRCSA-N 0 3 309.410 0.319 40 0 DCABHN Cn1cc(S(=O)(=O)N2CCC(NCc3cc[nH]n3)CC2)cn1 ZINC000331848691 534747732 /nfs/dbraw/zinc/74/77/32/534747732.db2.gz NXVRGNBMVOUCJP-UHFFFAOYSA-N 0 3 324.410 0.086 40 0 DCABHN CC(C)Nc1nc(NCCN2CCN(C)CC2)cc(C2CC2)n1 ZINC000328959914 529113027 /nfs/dbraw/zinc/11/30/27/529113027.db2.gz AVMOSGFUKCJJRF-UHFFFAOYSA-N 0 3 318.469 0.677 40 0 DCABHN O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cccs1 ZINC000952844772 768908460 /nfs/dbraw/zinc/90/84/60/768908460.db2.gz IDUKSPLZDXRYDI-XGFWRYKXSA-N 0 3 307.375 0.760 40 0 biogenic,in-vitro DCABHN CN(C)CCN1C[C@@H](NC(=O)c2cccn2C)[C@H]2OCCC[C@H]21 ZINC000096185916 282101772 /nfs/dbraw/zinc/10/17/72/282101772.db2.gz PZEHXAWZWCBRKS-IIAWOOMASA-N 0 3 320.437 0.548 40 0 DCABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1c[nH]cn1 ZINC000248039296 282108742 /nfs/dbraw/zinc/10/87/42/282108742.db2.gz VIFQJRZDNYDPSZ-CFVMTHIKSA-N 0 3 322.409 0.608 40 0 DCABHN Cc1cc(NCCN(C)C)nc(C2CN(S(C)(=O)=O)C2)n1 ZINC000072365008 191134539 /nfs/dbraw/zinc/13/45/39/191134539.db2.gz GFTNBEGLXPCOKM-UHFFFAOYSA-N 0 3 313.427 0.117 40 0 DCABHN CN1CCC(NC(=O)C2CCN(c3ncccn3)CC2)CC1 ZINC000072366510 191135391 /nfs/dbraw/zinc/13/53/91/191135391.db2.gz MGSYRJLVFNTNRH-UHFFFAOYSA-N 0 3 303.410 0.903 40 0 DCABHN COc1ccc(OCC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)cc1 ZINC000257273251 203002327 /nfs/dbraw/zinc/00/23/27/203002327.db2.gz NFVYSOBXEIPHFI-HZPDHXFCSA-N 0 3 320.389 0.742 40 0 DCABHN COc1cccc(S(=O)(=O)N2CC[C@](O)(CN(C)C)C2)c1 ZINC000257276430 203004403 /nfs/dbraw/zinc/00/44/03/203004403.db2.gz NTSVOLFVRSPDEO-AWEZNQCLSA-N 0 3 314.407 0.382 40 0 DCABHN COc1ccc([C@@H]2CNCCN2CC(=O)N2CCOCC2)cc1 ZINC000257312499 203036009 /nfs/dbraw/zinc/03/60/09/203036009.db2.gz UOFYEAYLYVVKSR-INIZCTEOSA-N 0 3 319.405 0.500 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000257320208 203044346 /nfs/dbraw/zinc/04/43/46/203044346.db2.gz VVTQHMYFXRNNPZ-MRXNPFEDSA-N 0 3 315.377 0.406 40 0 DCABHN CCN(CC)CC(=O)N1CCc2nc(N)c(C(=O)NC)cc2C1 ZINC000019701082 395691081 /nfs/dbraw/zinc/69/10/81/395691081.db2.gz IOPCOOCBXYEOPL-UHFFFAOYSA-N 0 3 319.409 0.250 40 0 DCABHN CN1CCN(CCCNC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000089212482 395709072 /nfs/dbraw/zinc/70/90/72/395709072.db2.gz IJEBAQYWLMBEGQ-UHFFFAOYSA-N 0 3 312.458 0.833 40 0 DCABHN COCCN1CCOC[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096049461 395740775 /nfs/dbraw/zinc/74/07/75/395740775.db2.gz HHIFVIXGAURVJK-KRWDZBQOSA-N 0 3 322.453 0.981 40 0 DCABHN CN(C)CCN1CCOC[C@@]2(CCCN(c3ncccn3)C2)C1 ZINC000096076364 395742953 /nfs/dbraw/zinc/74/29/53/395742953.db2.gz KSRMAPMHYZEFTO-KRWDZBQOSA-N 0 3 319.453 0.957 40 0 DCABHN Cn1cc(N2CCN(CC3CC3)C3(CCN(C)CC3)C2=O)cn1 ZINC000096230340 395751100 /nfs/dbraw/zinc/75/11/00/395751100.db2.gz SWEINOMIYWOASA-UHFFFAOYSA-N 0 3 317.437 0.943 40 0 DCABHN NCC(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)c1 ZINC000257234689 396041633 /nfs/dbraw/zinc/04/16/33/396041633.db2.gz GUQTZWJHUCKOQO-QEJZJMRPSA-N 0 3 318.377 0.368 40 0 DCABHN CCC[C@@H](N)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585286407 396646906 /nfs/dbraw/zinc/64/69/06/396646906.db2.gz XYTJPJANCHVRQC-VNHYZAJKSA-N 0 3 305.378 0.486 40 0 DCABHN O=C([C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1)N1CCOCC1 ZINC000096043205 415571659 /nfs/dbraw/zinc/57/16/59/415571659.db2.gz TWUXQYQAPAIYGP-IMJJTQAJSA-N 0 3 324.421 0.504 40 0 DCABHN CN(C)CCN1CCOC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049773 415577332 /nfs/dbraw/zinc/57/73/32/415577332.db2.gz JIUNUQRVJMOAQR-QGZVFWFLSA-N 0 3 323.437 0.744 40 0 DCABHN COc1ccc(C)cc1CC(=O)N1CCN(C)C[C@@H](C(N)=O)C1 ZINC000257332518 203054322 /nfs/dbraw/zinc/05/43/22/203054322.db2.gz XXQIKOPHWJJHQN-CQSZACIVSA-N 0 3 319.405 0.422 40 0 DCABHN COc1ccc([C@H]2CNCCN2CC(=O)N2CCOCC2)cc1 ZINC000257312500 203037565 /nfs/dbraw/zinc/03/75/65/203037565.db2.gz UOFYEAYLYVVKSR-MRXNPFEDSA-N 0 3 319.405 0.500 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000257316034 203041123 /nfs/dbraw/zinc/04/11/23/203041123.db2.gz VDVSABVBIWIFCY-QGZVFWFLSA-N 0 3 302.374 0.987 40 0 DCABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)CN)CC1 ZINC000257341117 203062698 /nfs/dbraw/zinc/06/26/98/203062698.db2.gz ZIWSVAOYNODJNZ-KRWDZBQOSA-N 0 3 320.437 0.606 40 0 DCABHN O=C([C@H]1CCCO1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292339 182113781 /nfs/dbraw/zinc/11/37/81/182113781.db2.gz MRSKOBZLDXWAHG-ZIAGYGMSSA-N 0 3 302.378 0.965 40 0 DCABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ccnnc3)C2)O1 ZINC000096160193 395746530 /nfs/dbraw/zinc/74/65/30/395746530.db2.gz AGZXWCRDUURJNE-GOEBONIOSA-N 0 3 320.393 0.428 40 0 DCABHN Cn1ccnc1C(=O)N[C@H]1CN([C@@H]2CCOC2)[C@@H]2CCCO[C@@H]21 ZINC000096186887 395747963 /nfs/dbraw/zinc/74/79/63/395747963.db2.gz UHFGZSZOUFWVAU-XJFOESAGSA-N 0 3 320.393 0.171 40 0 DCABHN COCC(=O)N[C@@H]1CCc2c(ccc(=O)n2CCN(C)C)C1 ZINC000096189653 395748405 /nfs/dbraw/zinc/74/84/05/395748405.db2.gz HHAPAKSKPRRYOT-CYBMUJFWSA-N 0 3 307.394 0.030 40 0 DCABHN CN(C)CCN1CC[C@@]2(CCCN(c3ncccn3)C2)C1=O ZINC000096073943 395742991 /nfs/dbraw/zinc/74/29/91/395742991.db2.gz WGNVPLABZMCGKL-MRXNPFEDSA-N 0 3 303.410 0.857 40 0 DCABHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CCOC3)C2)C1=O ZINC000096073949 395743280 /nfs/dbraw/zinc/74/32/80/395743280.db2.gz TUKHRMPRMOQCCX-WMLDXEAASA-N 0 3 323.437 0.426 40 0 DCABHN Cc1cnc(C(=O)N2CCC[C@@]3(C2)COCCN(C)C3)cn1 ZINC000096076820 395743563 /nfs/dbraw/zinc/74/35/63/395743563.db2.gz MYAOGIKKBVUTHE-MRXNPFEDSA-N 0 3 304.394 0.969 40 0 DCABHN CN(C)CCNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000225489127 395861327 /nfs/dbraw/zinc/86/13/27/395861327.db2.gz ROBXOWVAJHTZHX-ZDUSSCGKSA-N 0 3 313.423 0.297 40 0 DCABHN CN1CCN(Cc2ccc3c(c2)OCCO3)C[C@H](C(N)=O)C1 ZINC000257225567 396040204 /nfs/dbraw/zinc/04/02/04/396040204.db2.gz FGTPJJWZNFTZQB-CYBMUJFWSA-N 0 3 305.378 0.307 40 0 DCABHN CN1C[C@H](NC(=O)c2ccc(N3CCCC3)cc2)[C@H](C(N)=O)C1 ZINC000257246908 396042438 /nfs/dbraw/zinc/04/24/38/396042438.db2.gz IWLADWBKVDAHIP-CABCVRRESA-N 0 3 316.405 0.432 40 0 DCABHN Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCCN2C(=O)CN)n1 ZINC000257263488 396045632 /nfs/dbraw/zinc/04/56/32/396045632.db2.gz LQDBLQBRDAPDNK-AWEZNQCLSA-N 0 3 319.409 0.428 40 0 DCABHN NC(=O)CN1CCCC[C@H]2CN(C(=O)Cn3ccnc3)CC[C@H]21 ZINC000257315791 303250634 /nfs/dbraw/zinc/25/06/34/303250634.db2.gz VCTJEEDVKTUITC-UONOGXRCSA-N 0 3 319.409 0.071 40 0 DCABHN CN(C)c1cnnc(N2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000224310714 545943052 /nfs/dbraw/zinc/94/30/52/545943052.db2.gz HJOYLABRXMUPRA-UHFFFAOYSA-N 0 3 312.377 0.900 40 0 DCABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1ccncn1)C2)[C@H]3O ZINC000257270428 203000440 /nfs/dbraw/zinc/00/04/40/203000440.db2.gz MUEKUXYAXIDJAW-RPVAFNKOSA-N 0 3 316.405 0.782 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2ccccc2C)C1 ZINC000257272812 203001046 /nfs/dbraw/zinc/00/10/46/203001046.db2.gz NDZDRAZVMOCISB-HNNXBMFYSA-N 0 3 303.406 0.674 40 0 DCABHN O=C(Cn1nnc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257312352 203037495 /nfs/dbraw/zinc/03/74/95/203037495.db2.gz UNODCTAYUIXGGZ-HUUCEWRRSA-N 0 3 315.377 0.099 40 0 DCABHN O=C(c1cccs1)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000022031793 182305483 /nfs/dbraw/zinc/30/54/83/182305483.db2.gz FMSDNMVDAYSTHT-UHFFFAOYSA-N 0 3 323.462 0.963 40 0 DCABHN CCOC(=O)[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(F)cc1 ZINC000252514339 257106562 /nfs/dbraw/zinc/10/65/62/257106562.db2.gz CLEKZLFEZSGJQW-YRGRVCCFSA-N 0 3 315.366 0.844 40 0 DCABHN Cc1occc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCN(C)C ZINC000096054304 395741616 /nfs/dbraw/zinc/74/16/16/395741616.db2.gz FZYVDODHKQSJBS-CABCVRRESA-N 0 3 307.394 0.675 40 0 DCABHN CN(C)CC(=O)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC000096108162 395745264 /nfs/dbraw/zinc/74/52/64/395745264.db2.gz JFECZNQQUCVKQV-DZGCQCFKSA-N 0 3 307.394 0.500 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1 ZINC000257210253 396038393 /nfs/dbraw/zinc/03/83/93/396038393.db2.gz BTUVJZRWJBZOSP-MRXNPFEDSA-N 0 3 319.361 0.270 40 0 DCABHN CCOc1ccc(CN2C[C@H](OC)[C@@H](CC(N)=O)C2)cc1CO ZINC000585276694 396644024 /nfs/dbraw/zinc/64/40/24/396644024.db2.gz COVJQNCBQGSTLA-BBRMVZONSA-N 0 3 322.405 0.900 40 0 DCABHN CN(C)C/C=C/C(=O)N1CCC[C@](O)(CCC(=O)N(C)C)C1 ZINC000585290409 396647694 /nfs/dbraw/zinc/64/76/94/396647694.db2.gz WAQZLBOYEJDCBW-YERXGYGTSA-N 0 3 311.426 0.326 40 0 DCABHN O=C(C1CC(F)C1)N1C[C@@H]2C(=O)N(CCN3CCCC3)C[C@@H]2C1 ZINC000585107371 396638928 /nfs/dbraw/zinc/63/89/28/396638928.db2.gz VSGGMKVGGJBURE-JYVUQVBGSA-N 0 3 323.412 0.747 40 0 DCABHN CCOC(=O)[C@@]12CN(C)C[C@@H]1CN(C(=O)C1CC(O)C1)CCC2 ZINC000585108177 396639912 /nfs/dbraw/zinc/63/99/12/396639912.db2.gz LWCKELDCHLVTAU-GMUWMPNVSA-N 0 3 324.421 0.491 40 0 DCABHN CN(C)C(=O)COC[C@@H]1Cn2nccc2CN(CC2CC2)C1 ZINC000096189074 415577800 /nfs/dbraw/zinc/57/78/00/415577800.db2.gz ROSRWAMGRJOOPK-AWEZNQCLSA-N 0 3 306.410 0.830 40 0 DCABHN CN1CCC(C(=O)N2CCO[C@H](c3cccc(N)n3)C2)CC1 ZINC000257258278 277024324 /nfs/dbraw/zinc/02/43/24/277024324.db2.gz KTDDAQHZRHNKNN-AWEZNQCLSA-N 0 3 304.394 0.906 40 0 DCABHN CN(C)C(=O)CCc1cncc([C@@H]2CCCN2C(=O)CN)n1 ZINC000072366609 288952489 /nfs/dbraw/zinc/95/24/89/288952489.db2.gz ZYCSRULOQVHOHO-ZDUSSCGKSA-N 0 3 305.382 0.120 40 0 DCABHN O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cccs1 ZINC000952844678 768908202 /nfs/dbraw/zinc/90/82/02/768908202.db2.gz ICOLJDSFFXCHPG-NJMOYASZSA-N 0 3 308.363 0.155 40 0 biogenic,in-vitro DCABHN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2C(=O)CN)n1 ZINC000072360891 191131616 /nfs/dbraw/zinc/13/16/16/191131616.db2.gz LWMMRKSVGCHEQT-LBPRGKRZSA-N 0 3 313.365 0.941 40 0 DCABHN NC(=O)[C@@H](N)CCC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000006575381 181356459 /nfs/dbraw/zinc/35/64/59/181356459.db2.gz XZPWKRZDRFWUGL-QWRGUYRKSA-N 0 3 306.391 0.259 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(Cc2nc3ccccc3n2C)C1 ZINC000257273377 203000860 /nfs/dbraw/zinc/00/08/60/203000860.db2.gz NGHWRLWNTQNBPO-ZDUSSCGKSA-N 0 3 315.421 0.683 40 0 DCABHN CN(C)Cc1nccnc1C1CCN(CC(=O)N(C)C)CC1 ZINC000257289893 203016205 /nfs/dbraw/zinc/01/62/05/203016205.db2.gz QAQDTNCVNLUHLP-UHFFFAOYSA-N 0 3 305.426 0.806 40 0 DCABHN COc1ccc(CCNC(=O)C(=O)NCCN(C)C)cc1OC ZINC000008091151 181525573 /nfs/dbraw/zinc/52/55/73/181525573.db2.gz NPSBBTWCXZIEQU-UHFFFAOYSA-N 0 3 323.393 0.040 40 0 DCABHN COC(=O)c1sccc1S(=O)(=O)N1CCCNCC1 ZINC000015423949 182001871 /nfs/dbraw/zinc/00/18/71/182001871.db2.gz RIHRZFRQMOGEIV-UHFFFAOYSA-N 0 3 304.393 0.519 40 0 DCABHN CN1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288580 257216810 /nfs/dbraw/zinc/21/68/10/257216810.db2.gz CUSBLRXKFRNGED-IAGOWNOFSA-N 0 3 301.434 0.664 40 0 biogenic,in-vitro DCABHN O=C(c1cnc2sccn2c1=O)N1CCN2CCC[C@@H]2C1 ZINC000028232879 395695936 /nfs/dbraw/zinc/69/59/36/395695936.db2.gz ITDDXYYHEOOJKR-SNVBAGLBSA-N 0 3 304.375 0.676 40 0 DCABHN CN(C)CCN1CCC2(CCN(c3ncccn3)CC2)C1=O ZINC000096157746 395746738 /nfs/dbraw/zinc/74/67/38/395746738.db2.gz HSFBOZVOTGWZES-UHFFFAOYSA-N 0 3 303.410 0.857 40 0 DCABHN CS(=O)(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12 ZINC000096185276 395747244 /nfs/dbraw/zinc/74/72/44/395747244.db2.gz HEJADAYQXZLRFU-MCIONIFRSA-N 0 3 314.407 0.666 40 0 DCABHN CN(C)CCN1CC[C@]2(CC(C(=O)NCc3ccco3)=NO2)C1 ZINC000096225882 395750535 /nfs/dbraw/zinc/75/05/35/395750535.db2.gz PYUASDHUBBATCP-INIZCTEOSA-N 0 3 320.393 0.678 40 0 DCABHN Cc1cccc(CN2C[C@@H]3CN(CC(=O)N(C)C)C[C@@H]3C2=O)c1 ZINC000096245275 395751533 /nfs/dbraw/zinc/75/15/33/395751533.db2.gz GQCZNHLXYAGRSJ-HOTGVXAUSA-N 0 3 315.417 0.973 40 0 DCABHN NC(=O)[C@@H]1CN(Cc2nccs2)CCN(C2CCOCC2)C1 ZINC000257211179 396038369 /nfs/dbraw/zinc/03/83/69/396038369.db2.gz BXTZPCAATAKWMO-GFCCVEGCSA-N 0 3 324.450 0.541 40 0 DCABHN CNc1cc(C)nc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)c1 ZINC000257257371 396044270 /nfs/dbraw/zinc/04/42/70/396044270.db2.gz KPIHTYQPZAZGIG-ZDUSSCGKSA-N 0 3 314.411 0.611 40 0 DCABHN CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257262979 396045660 /nfs/dbraw/zinc/04/56/60/396045660.db2.gz LNVUYKDHFOBRFF-ZIAGYGMSSA-N 0 3 305.378 0.761 40 0 DCABHN CCCN(Cc1ccc2[nH]cnc2c1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290970 396648306 /nfs/dbraw/zinc/64/83/06/396648306.db2.gz JNIXRRMODNFWNX-OAGGEKHMSA-N 0 3 305.378 0.896 40 0 DCABHN CCCN(Cc1ccc2nc[nH]c2c1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290970 396648310 /nfs/dbraw/zinc/64/83/10/396648310.db2.gz JNIXRRMODNFWNX-OAGGEKHMSA-N 0 3 305.378 0.896 40 0 DCABHN Cc1n[nH]cc1CN1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585295211 396648570 /nfs/dbraw/zinc/64/85/70/396648570.db2.gz PZSRGWVBWIMZQA-VVLHAWIVSA-N 0 3 317.389 0.228 40 0 DCABHN C[NH+](C)C[C@@H]1CCn2nccc2CN1C(=O)c1cc(=O)[n-]cn1 ZINC000585097854 396638910 /nfs/dbraw/zinc/63/89/10/396638910.db2.gz RXSFMAULCKCITG-NSHDSACASA-N 0 3 316.365 0.355 40 0 DCABHN CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CCN(C)C)C1 ZINC000248088370 416333062 /nfs/dbraw/zinc/33/30/62/416333062.db2.gz DZSQGUWDQDSCDG-AWEZNQCLSA-N 0 3 314.455 0.626 40 0 DCABHN COc1cccc(CC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c1 ZINC000257271581 416335071 /nfs/dbraw/zinc/33/50/71/416335071.db2.gz MYXKKPPADTZGJA-HZPDHXFCSA-N 0 3 304.390 0.905 40 0 DCABHN CC(=O)N1CCC(O)(CN2CCC[C@H]2c2cnccn2)CC1 ZINC000257331133 416335269 /nfs/dbraw/zinc/33/52/69/416335269.db2.gz XROATIHLVLKGSO-HNNXBMFYSA-N 0 3 304.394 0.987 40 0 DCABHN Cc1nccn1CCNC(=O)c1cc2n(n1)C[C@@H](N(C)C)C2 ZINC001772501816 1190701968 /nfs/dbraw/zinc/70/19/68/1190701968.db2.gz SQIRRSPMMLTCRF-ZDUSSCGKSA-N 0 3 302.382 0.304 40 0 DCABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccn1C ZINC000096041487 282109153 /nfs/dbraw/zinc/10/91/53/282109153.db2.gz ZCHWAHPNWVNBDB-NUEKZKHPSA-N 0 3 321.421 0.975 40 0 DCABHN Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)CN)n1 ZINC000072360894 191131660 /nfs/dbraw/zinc/13/16/60/191131660.db2.gz LJWQVKYHJYEYGR-GFCCVEGCSA-N 0 3 313.365 0.941 40 0 DCABHN O=C(CN1CCNCC1)NCCc1c[nH]c2ccc(F)cc12 ZINC000408712657 239275570 /nfs/dbraw/zinc/27/55/70/239275570.db2.gz FPSIEQNTQDKSFR-UHFFFAOYSA-N 0 3 304.369 0.871 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000257295533 203020410 /nfs/dbraw/zinc/02/04/10/203020410.db2.gz QYSNWERIAGLEDN-LBPRGKRZSA-N 0 3 320.315 0.427 40 0 DCABHN CN(C)Cc1cnc([C@@H]2CCN(C(=O)c3cnccn3)C2)[nH]1 ZINC000257328077 203051968 /nfs/dbraw/zinc/05/19/68/203051968.db2.gz XEAIYQAHSFOMHP-LLVKDONJSA-N 0 3 300.366 0.891 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)C[C@H]1O ZINC000257320736 203045506 /nfs/dbraw/zinc/04/55/06/203045506.db2.gz VYIFCLBBSNPOCT-ZIAGYGMSSA-N 0 3 304.394 0.429 40 0 DCABHN O=C([C@H]1COc2ccccc2O1)N1CCC2(CC1)CNCCO2 ZINC000096091759 284580853 /nfs/dbraw/zinc/58/08/53/284580853.db2.gz KWAXDSHEECWUGU-OAHLLOKOSA-N 0 3 318.373 0.807 40 0 DCABHN CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(N)CN ZINC000252516676 257106297 /nfs/dbraw/zinc/10/62/97/257106297.db2.gz VXDGQQJHJDKERH-HBNTYKKESA-N 0 3 319.224 0.616 40 0 DCABHN CC(C)N1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289786 257215539 /nfs/dbraw/zinc/21/55/39/257215539.db2.gz OPCCTCGXGYIYLX-DLBZAZTESA-N 0 3 316.449 0.795 40 0 biogenic,in-vitro DCABHN CC1CCN(C[C@@H]2OC[C@H](NCc3nccn3C)[C@H]2O)CC1 ZINC000514289717 257215592 /nfs/dbraw/zinc/21/55/92/257215592.db2.gz ZGZPPCIINXRKFY-OFQRWUPVSA-N 0 3 308.426 0.370 40 0 biogenic,in-vitro DCABHN COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 ZINC000014447049 395689505 /nfs/dbraw/zinc/68/95/05/395689505.db2.gz YPZPXTZKBNWUTF-QMVVXIJUSA-N 0 3 315.369 0.616 40 0 DCABHN Cc1cnc(N2C[C@H]3C[C@H](C(=O)NCCN(C)C)[C@@H](C2)O3)nc1 ZINC000096083609 395743884 /nfs/dbraw/zinc/74/38/84/395743884.db2.gz SLMVIGVDETURLK-HZSPNIEDSA-N 0 3 319.409 0.057 40 0 DCABHN COCCNC(=O)[C@]12COC[C@H]1CN(Cc1ccncc1)C2 ZINC000096110029 395745099 /nfs/dbraw/zinc/74/50/99/395745099.db2.gz SWJXHPYKLCZEQB-GDBMZVCRSA-N 0 3 305.378 0.293 40 0 DCABHN N[C@@H]1CCN(c2nccn3c(=O)n(Cc4ccccc4)nc23)C1 ZINC000096530685 395754315 /nfs/dbraw/zinc/75/43/15/395754315.db2.gz XAWQFUOTEYXDIU-CYBMUJFWSA-N 0 3 310.361 0.477 40 0 DCABHN CNc1ncccc1CN1CCN(C)C[C@H](C(=O)N(C)C)C1 ZINC000257210632 396037705 /nfs/dbraw/zinc/03/77/05/396037705.db2.gz BVNPQQQCLSDGMX-AWEZNQCLSA-N 0 3 305.426 0.575 40 0 DCABHN CN1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H](C(N)=O)C1 ZINC000257225568 396040012 /nfs/dbraw/zinc/04/00/12/396040012.db2.gz FGTPJJWZNFTZQB-ZDUSSCGKSA-N 0 3 305.378 0.307 40 0 DCABHN CC(C)c1nnc(CCC(=O)N2CCN(C)C[C@H](C(N)=O)C2)o1 ZINC000257227890 396040853 /nfs/dbraw/zinc/04/08/53/396040853.db2.gz FRKDTXMANPXYGP-NSHDSACASA-N 0 3 323.397 0.001 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)Cn2cnc3ccccc32)C1 ZINC000257235477 396041814 /nfs/dbraw/zinc/04/18/14/396041814.db2.gz GYAOSTMGEDBBBZ-INIZCTEOSA-N 0 3 302.378 0.561 40 0 DCABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008297955 657501384 /nfs/dbraw/zinc/50/13/84/657501384.db2.gz RVGLVQANUUTYOV-YUELXQCFSA-N 0 3 321.425 0.048 40 0 biogenic,in-vitro DCABHN CC(=O)N1CCC(O)(CN2CCC(c3nncn3C)CC2)CC1 ZINC000072367452 191137298 /nfs/dbraw/zinc/13/72/98/191137298.db2.gz WSLLZENYBLABJX-UHFFFAOYSA-N 0 3 321.425 0.368 40 0 DCABHN Cc1cc(C(=O)N2CCN(C)CC2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072369288 191139790 /nfs/dbraw/zinc/13/97/90/191139790.db2.gz UNWZJXZAUXSEJC-CQSZACIVSA-N 0 3 317.437 0.982 40 0 DCABHN O=C(N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O)c1ccn[nH]1 ZINC000257336326 203057041 /nfs/dbraw/zinc/05/70/41/203057041.db2.gz YNYASNDBMPRLOZ-HZPDHXFCSA-N 0 3 314.389 0.817 40 0 DCABHN COc1ccc(-c2noc(CCNC(=O)CN)n2)cc1OC ZINC000072220507 257124127 /nfs/dbraw/zinc/12/41/27/257124127.db2.gz PSVRLUVUBFOBIR-UHFFFAOYSA-N 0 3 306.322 0.371 40 0 DCABHN COC[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133666 257131040 /nfs/dbraw/zinc/13/10/40/257131040.db2.gz FZKSKURBGOAIMN-HZSPNIEDSA-N 0 3 313.375 0.517 40 0 DCABHN O=S(=O)(N1CCOCC1)N1CCNC[C@@H]1c1ccccc1 ZINC000257200772 296457102 /nfs/dbraw/zinc/45/71/02/296457102.db2.gz AEUXTMQIDPQQAC-CQSZACIVSA-N 0 3 311.407 0.210 40 0 DCABHN CN(C)C(=O)CN1CC[C@H]2CN(Cc3ccco3)C[C@@H]2C1=O ZINC000096054622 395741420 /nfs/dbraw/zinc/74/14/20/395741420.db2.gz FDNYWJYOCJXPND-JSGCOSHPSA-N 0 3 305.378 0.648 40 0 DCABHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H]3CCOC3)CC[C@@H]21 ZINC000096064454 395742495 /nfs/dbraw/zinc/74/24/95/395742495.db2.gz FLMVNACLOOLBHQ-NCOADZHNSA-N 0 3 318.421 0.983 40 0 DCABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1c[nH]cn1 ZINC000096082441 395743716 /nfs/dbraw/zinc/74/37/16/395743716.db2.gz VIFQJRZDNYDPSZ-AEGPPILISA-N 0 3 322.409 0.608 40 0 DCABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H]2C1 ZINC000096080932 395743806 /nfs/dbraw/zinc/74/38/06/395743806.db2.gz KQCLUGXKMPZQQX-CHWSQXEVSA-N 0 3 305.378 0.858 40 0 DCABHN O=C(c1ccco1)N1C[C@H]2CN(CCN3CCCC3)C(=O)[C@H]2C1 ZINC000096090621 395744492 /nfs/dbraw/zinc/74/44/92/395744492.db2.gz FWSQTQXHGZIEBP-KGLIPLIRSA-N 0 3 317.389 0.906 40 0 DCABHN Cn1cnc(S(=O)(=O)N2CC3(C2)CCN(CC2CC2)C3)c1 ZINC000096202656 395749548 /nfs/dbraw/zinc/74/95/48/395749548.db2.gz QXFRIARGWULAHD-UHFFFAOYSA-N 0 3 310.423 0.527 40 0 DCABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC000096249270 395752021 /nfs/dbraw/zinc/75/20/21/395752021.db2.gz GHWSSYHBBSJLMA-JKSUJKDBSA-N 0 3 320.437 0.882 40 0 DCABHN CN(C)C(=O)CO[C@H]1Cn2cccc2CN(C2CCOCC2)C1 ZINC000247988987 395981037 /nfs/dbraw/zinc/98/10/37/395981037.db2.gz LBSSVDWBBBRUTF-INIZCTEOSA-N 0 3 321.421 0.956 40 0 DCABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1c[nH]cn1 ZINC000248039298 395982807 /nfs/dbraw/zinc/98/28/07/395982807.db2.gz VIFQJRZDNYDPSZ-QEJZJMRPSA-N 0 3 322.409 0.608 40 0 DCABHN CN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290439 396647824 /nfs/dbraw/zinc/64/78/24/396647824.db2.gz CYBPWOBUSNDQFO-OIISXLGYSA-N 0 3 317.389 0.672 40 0 DCABHN CC[C@@H](C)N1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099601 396638950 /nfs/dbraw/zinc/63/89/50/396638950.db2.gz RWKVSGBRSFMXRM-TZMCWYRMSA-N 0 3 302.440 0.754 40 0 DCABHN O=C([C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21)N1CCCO1 ZINC000096040803 415571070 /nfs/dbraw/zinc/57/10/70/415571070.db2.gz PEHUHOJMVQTNBU-OAGGEKHMSA-N 0 3 317.389 0.940 40 0 DCABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21)N1CCCO1 ZINC000096038650 415572722 /nfs/dbraw/zinc/57/27/22/415572722.db2.gz JYOQALFTEXWDQS-BZUAXINKSA-N 0 3 317.389 0.940 40 0 DCABHN CN1CCc2nc3n(c(=O)c2C1)CCN(C(=O)C1CC1)CC3 ZINC000306127864 416104720 /nfs/dbraw/zinc/10/47/20/416104720.db2.gz GJKOHQWKKYKLSR-UHFFFAOYSA-N 0 3 302.378 0.026 40 0 DCABHN CO[C@H]1CN(C2CCN(S(C)(=O)=O)CC2)C[C@@]12CCCO2 ZINC000257260568 416335099 /nfs/dbraw/zinc/33/50/99/416335099.db2.gz LDKHIEKQFSMSNG-KBPBESRZSA-N 0 3 318.439 0.290 40 0 DCABHN CNC(=O)C1(N2CCC[C@H]2C(=O)NCCN(C)C)CCCCC1 ZINC000096113082 290353738 /nfs/dbraw/zinc/35/37/38/290353738.db2.gz FZCDUUOOSHPBBA-AWEZNQCLSA-N 0 3 324.469 0.578 40 0 biogenic,in-vitro DCABHN CN1CCC(c2cccc(CCC(=O)NCC(N)=O)n2)CC1 ZINC000072366919 191137188 /nfs/dbraw/zinc/13/71/88/191137188.db2.gz NYKXVMPJLCLMHK-UHFFFAOYSA-N 0 3 304.394 0.425 40 0 DCABHN CC(C)c1nnc(CCC(=O)N2CC[C@@](O)(CN(C)C)C2)o1 ZINC000257297827 203022541 /nfs/dbraw/zinc/02/25/41/203022541.db2.gz RIYASJXQRCYYEE-OAHLLOKOSA-N 0 3 310.398 0.651 40 0 DCABHN Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)s1 ZINC000257327859 203050388 /nfs/dbraw/zinc/05/03/88/203050388.db2.gz XDAWGYDBJNUTJA-CHWSQXEVSA-N 0 3 309.435 0.970 40 0 DCABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)CN)CC1 ZINC000257341118 203062062 /nfs/dbraw/zinc/06/20/62/203062062.db2.gz ZIWSVAOYNODJNZ-QGZVFWFLSA-N 0 3 320.437 0.606 40 0 DCABHN CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H](C(N)=O)C1 ZINC000257342702 203065222 /nfs/dbraw/zinc/06/52/22/203065222.db2.gz ZPUBTUGKCNNQSD-MRXNPFEDSA-N 0 3 315.417 0.593 40 0 DCABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)C1(CN)CN ZINC000218144014 257130632 /nfs/dbraw/zinc/13/06/32/257130632.db2.gz HUUCMBCUMFBAET-CHWSQXEVSA-N 0 3 312.391 0.220 40 0 DCABHN CC(=O)c1ccc(NC(=O)CNCCN2CCOCC2)cc1 ZINC000022587010 395691881 /nfs/dbraw/zinc/69/18/81/395691881.db2.gz XCVKNEUCFINDEA-UHFFFAOYSA-N 0 3 305.378 0.750 40 0 DCABHN CN(C)C(=O)CO[C@@H]1C[C@H]2CN(Cc3cccn3C)CCN2C1 ZINC000096183258 395747115 /nfs/dbraw/zinc/74/71/15/395747115.db2.gz DZRAOEDKDJEWIL-JKSUJKDBSA-N 0 3 320.437 0.388 40 0 DCABHN C([C@H]1CCCO1)N1CCO[C@H]2CN(CC3CCOCC3)C[C@H]21 ZINC000096054351 395741330 /nfs/dbraw/zinc/74/13/30/395741330.db2.gz MFQOTAOBRCQAAJ-ZACQAIPSSA-N 0 3 310.438 0.977 40 0 DCABHN CN(C)CCNC(=O)[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2N1C ZINC000096063696 395742753 /nfs/dbraw/zinc/74/27/53/395742753.db2.gz UXYKIPCDHQJOIJ-BMFZPTHFSA-N 0 3 320.437 0.462 40 0 DCABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccc[nH]3)C[C@H]2C1 ZINC000096080931 395743349 /nfs/dbraw/zinc/74/33/49/395743349.db2.gz KQCLUGXKMPZQQX-BETUJISGSA-N 0 3 305.378 0.858 40 0 DCABHN O=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)c1ccc(F)cc1 ZINC000096296109 395752400 /nfs/dbraw/zinc/75/24/00/395752400.db2.gz BODWNPWFRQYGKF-KFWWJZLASA-N 0 3 308.353 0.826 40 0 biogenic,in-vitro DCABHN Cc1ccc(N2CCn3c(COCCN(C)C)nnc3C2)nn1 ZINC000096259017 395752133 /nfs/dbraw/zinc/75/21/33/395752133.db2.gz DJILPTYBUKKLHE-UHFFFAOYSA-N 0 3 317.397 0.475 40 0 DCABHN CN(C)Cc1ccc(C(=O)N2CCN(C)C[C@@H](C(N)=O)C2)cc1 ZINC000257212035 396037931 /nfs/dbraw/zinc/03/79/31/396037931.db2.gz CBQLPQVLVBTCKU-OAHLLOKOSA-N 0 3 318.421 0.237 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2ccccc2F)C1 ZINC000257236265 396041754 /nfs/dbraw/zinc/04/17/54/396041754.db2.gz HBKHDVSKQRFWOT-AWEZNQCLSA-N 0 3 321.396 0.895 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000257251495 396043271 /nfs/dbraw/zinc/04/32/71/396043271.db2.gz JQZRIAUYSLDESZ-CQSZACIVSA-N 0 3 319.405 0.374 40 0 DCABHN O=C(CO)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257288841 396046185 /nfs/dbraw/zinc/04/61/85/396046185.db2.gz PVYKZQLDIXOZMM-CYBMUJFWSA-N 0 3 306.353 0.453 40 0 DCABHN CNCC(=O)N1CCOC[C@](O)(COc2ccc(C)cc2)C1 ZINC000585269432 396643270 /nfs/dbraw/zinc/64/32/70/396643270.db2.gz UGDDKOFCOXWWOA-INIZCTEOSA-N 0 3 308.378 0.183 40 0 DCABHN Cn1cc(CN2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)cn1 ZINC000096040799 415572271 /nfs/dbraw/zinc/57/22/71/415572271.db2.gz JKKJDTFQLSTFDW-KFWWJZLASA-N 0 3 320.393 0.278 40 0 DCABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218536321 416327615 /nfs/dbraw/zinc/32/76/15/416327615.db2.gz CLEKZLFEZSGJQW-MBNYWOFBSA-N 0 3 315.366 0.844 40 0 DCABHN O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1CCc1ccccc1)O3 ZINC000306131961 534877329 /nfs/dbraw/zinc/87/73/29/534877329.db2.gz KTZGRMNWJCGLEK-ILXRZTDVSA-N 0 3 308.403 0.374 40 0 DCABHN COCCN1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000257274249 203002180 /nfs/dbraw/zinc/00/21/80/203002180.db2.gz NKEVHHVFXQEDIF-ZDUSSCGKSA-N 0 3 322.409 0.708 40 0 DCABHN OCCN1CCN(CCN2CCn3c4ccccc4nc32)CC1 ZINC000019359908 182118785 /nfs/dbraw/zinc/11/87/85/182118785.db2.gz CHRCZGCNPWLYKL-UHFFFAOYSA-N 0 3 315.421 0.466 40 0 DCABHN O[C@H]1[C@H](CN2CCOCC2)OC[C@@H]1NCc1ccc(F)cc1 ZINC000514289722 257216408 /nfs/dbraw/zinc/21/64/08/257216408.db2.gz ZLEPPDDTGPHNIV-HRCADAONSA-N 0 3 310.369 0.376 40 0 biogenic,in-vitro DCABHN COc1ncccc1CN1CC[C@@H]2[C@@H]1CC(=O)N2CCN(C)C ZINC000096183808 395747362 /nfs/dbraw/zinc/74/73/62/395747362.db2.gz HRWNAQPZBGRSCQ-CABCVRRESA-N 0 3 318.421 0.827 40 0 DCABHN CNC(=O)CCc1cc([C@H]2CCCN(C(=O)CN)C2)nc(C)n1 ZINC000257207050 396037142 /nfs/dbraw/zinc/03/71/42/396037142.db2.gz BGDRFDYCXUHBJV-LBPRGKRZSA-N 0 3 319.409 0.128 40 0 DCABHN COCC(=O)N1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096224260 292176697 /nfs/dbraw/zinc/17/66/97/292176697.db2.gz WWMUURMCWFSFAG-QGZVFWFLSA-N 0 3 323.437 0.570 40 0 DCABHN CC(=O)N1CCN(c2cnc([C@H]3CCCN(C)C3)cn2)CC1 ZINC000072365063 415412942 /nfs/dbraw/zinc/41/29/42/415412942.db2.gz GYJASGCFKWELRA-AWEZNQCLSA-N 0 3 303.410 0.954 40 0 DCABHN Cc1cnc(C(=O)N2C[C@H](OCCN(C)C)[C@H]3COC[C@H]32)cn1 ZINC000096184989 415578311 /nfs/dbraw/zinc/57/83/11/415578311.db2.gz WQHLFALDVXKDBB-CFVMTHIKSA-N 0 3 320.393 0.203 40 0 DCABHN CS(=O)(=O)N[C@@H]1COC[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000107203755 415661239 /nfs/dbraw/zinc/66/12/39/415661239.db2.gz QWRGWXMETOEIDX-RWMBFGLXSA-N 0 3 316.448 0.744 40 0 DCABHN CNC(=O)C[C@@]1(COC)CCCN1Cc1cnc(NC)nc1 ZINC000585279326 416520108 /nfs/dbraw/zinc/52/01/08/416520108.db2.gz XYDSYEZUTUKQFB-OAHLLOKOSA-N 0 3 307.398 0.635 40 0 DCABHN c1cnc(N2CCO[C@H]3CN(CC4CCOCC4)C[C@H]32)nc1 ZINC000096054444 275073542 /nfs/dbraw/zinc/07/35/42/275073542.db2.gz AEHBMTGHTCYNLR-CABCVRRESA-N 0 3 304.394 0.793 40 0 DCABHN CN1CCN(C(=O)C2=Cc3ccccc3OC2)C[C@@H](C(N)=O)C1 ZINC000257299050 277088570 /nfs/dbraw/zinc/08/85/70/277088570.db2.gz RONJVTHXINGFKA-AWEZNQCLSA-N 0 3 315.373 0.338 40 0 DCABHN CNC(=O)[C@H]1CN(C(=O)C2CCC2)CCN(C2CCOCC2)C1 ZINC000257290047 277253176 /nfs/dbraw/zinc/25/31/76/277253176.db2.gz QBIVOYDQPWRFQU-CQSZACIVSA-N 0 3 323.437 0.472 40 0 DCABHN CC(=O)N1CCN(c2cnc([C@@H]3CCCN(C)C3)cn2)CC1 ZINC000072365062 191133813 /nfs/dbraw/zinc/13/38/13/191133813.db2.gz GYJASGCFKWELRA-CQSZACIVSA-N 0 3 303.410 0.954 40 0 DCABHN COc1ccc(CC(=O)N2CC[C@@](O)(CN(C)C)C2)cc1F ZINC000257298170 203022951 /nfs/dbraw/zinc/02/29/51/203022951.db2.gz RKLWENQMKGWXEV-MRXNPFEDSA-N 0 3 310.369 0.902 40 0 DCABHN CC(C)(N)C(=O)N1CCC[C@@]2(Cc3c(nc(N)nc3N)O2)CC1 ZINC000257299175 203023137 /nfs/dbraw/zinc/02/31/37/203023137.db2.gz RPAHIXLXPYLHOR-HNNXBMFYSA-N 0 3 320.397 0.065 40 0 DCABHN Cc1cc(C)n(CCCC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)n1 ZINC000257299161 203023788 /nfs/dbraw/zinc/02/37/88/203023788.db2.gz ROYXWJZJMWBYJQ-HZPDHXFCSA-N 0 3 320.437 0.948 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CC2(O)CCCCC2)C1 ZINC000257326562 203051603 /nfs/dbraw/zinc/05/16/03/203051603.db2.gz WXQSAZQJVGGNQN-CYBMUJFWSA-N 0 3 311.426 0.208 40 0 DCABHN COc1cccc(O[C@H]2CCN(CCC(N)=O)CC[C@@H]2O)c1 ZINC000257321666 203044577 /nfs/dbraw/zinc/04/45/77/203044577.db2.gz WCRAOCPJFQSOGO-GJZGRUSLSA-N 0 3 308.378 0.775 40 0 DCABHN CN(C)CCNC(=O)c1nc2c(o1)CN(c1ncccn1)C2 ZINC000096266048 193607224 /nfs/dbraw/zinc/60/72/24/193607224.db2.gz OOAPNUVJKOWVQW-UHFFFAOYSA-N 0 3 302.338 0.276 40 0 DCABHN COCCN1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 ZINC000306123780 532974401 /nfs/dbraw/zinc/97/44/01/532974401.db2.gz AWOHEDNDROKMMM-GOEBONIOSA-N 0 3 323.393 0.140 40 0 DCABHN O[C@@H]1[C@@H](N2CCCC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccn1 ZINC000012489863 395687790 /nfs/dbraw/zinc/68/77/90/395687790.db2.gz BXOVPKHZCWLPAG-DGXTUMSLSA-N 0 3 305.378 0.120 40 0 biogenic,in-vitro DCABHN COCCO[C@@H]1CCN([C@H]2CCOC2)[C@H]1Cc1cnn(C)c1 ZINC000096200237 395748717 /nfs/dbraw/zinc/74/87/17/395748717.db2.gz SHHRFJPECMNSBP-HRCADAONSA-N 0 3 309.410 0.857 40 0 DCABHN CN(C)CCOCc1nnn2c1CN(C(=O)N(C)C)CCC2 ZINC000096084349 395743833 /nfs/dbraw/zinc/74/38/33/395743833.db2.gz IKVYLXSANHNBLQ-UHFFFAOYSA-N 0 3 310.402 0.244 40 0 DCABHN CN(C)CCNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000225489095 395861468 /nfs/dbraw/zinc/86/14/68/395861468.db2.gz ROBXOWVAJHTZHX-CYBMUJFWSA-N 0 3 313.423 0.297 40 0 DCABHN NC(=O)[C@H]1CN(Cc2nccs2)CCN(C2CCOCC2)C1 ZINC000257211180 396037718 /nfs/dbraw/zinc/03/77/18/396037718.db2.gz BXTZPCAATAKWMO-LBPRGKRZSA-N 0 3 324.450 0.541 40 0 DCABHN O[C@@H]1C[C@H](CNCc2ccccc2)[C@@H](N2CCOCC2)[C@@H]1O ZINC000257223697 396040248 /nfs/dbraw/zinc/04/02/48/396040248.db2.gz DYNZRYASJMGWCK-QBPKDAKJSA-N 0 3 306.406 0.219 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)CCn2ncc3ccccc32)C1 ZINC000257232695 396040895 /nfs/dbraw/zinc/04/08/95/396040895.db2.gz GLZZJFDGLSHHTN-QGZVFWFLSA-N 0 3 316.405 0.951 40 0 DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000257251494 396043305 /nfs/dbraw/zinc/04/33/05/396043305.db2.gz JQZRIAUYSLDESZ-AWEZNQCLSA-N 0 3 319.405 0.374 40 0 DCABHN CN(CC(=O)N1CCO[C@H](c2nccnc2N)C1)C1CCCC1 ZINC000257265702 396045030 /nfs/dbraw/zinc/04/50/30/396045030.db2.gz LZXURFSWFNFNTJ-ZDUSSCGKSA-N 0 3 319.409 0.833 40 0 DCABHN CNC(=O)c1cc2c(nc1N(C)C)CCN(CCOC)CC2 ZINC000096260324 415577191 /nfs/dbraw/zinc/57/71/91/415577191.db2.gz PJPQBEMGQXUPQN-UHFFFAOYSA-N 0 3 306.410 0.554 40 0 DCABHN CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(c3ncc(F)cn3)CC[C@@H]21 ZINC000107202986 415660381 /nfs/dbraw/zinc/66/03/81/415660381.db2.gz FCXIRTXDBXCMRY-SNPRPXQTSA-N 0 3 321.400 0.993 40 0 DCABHN CNC(=O)CCc1cc(C)nc([C@H]2CCCN2C(=O)CN)n1 ZINC000257251929 416334848 /nfs/dbraw/zinc/33/48/48/416334848.db2.gz JSWJXXXGGKIALU-GFCCVEGCSA-N 0 3 305.382 0.086 40 0 DCABHN CN(C)C(=O)COC[C@@H]1CN(C)C2(CN(Cc3cn[nH]c3)C2)C1 ZINC000585093795 416517646 /nfs/dbraw/zinc/51/76/46/416517646.db2.gz GFIHTJZOONHCIL-ZDUSSCGKSA-N 0 3 321.425 0.021 40 0 DCABHN COC[C@@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)N1C ZINC000096209809 277250195 /nfs/dbraw/zinc/25/01/95/277250195.db2.gz RLDNNGWAGAKZBS-LBPRGKRZSA-N 0 3 305.444 0.368 40 0 DCABHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](N3CCCC3)C2)C1 ZINC000170740345 278142421 /nfs/dbraw/zinc/14/24/21/278142421.db2.gz VSXCBFZUXDQQGI-CVEARBPZSA-N 0 3 322.453 0.284 40 0 DCABHN COCC(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 ZINC000072391640 191148295 /nfs/dbraw/zinc/14/82/95/191148295.db2.gz PLQIUEFRHKDZTN-NSHDSACASA-N 0 3 318.381 0.008 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2nc3ccccc3n2C)C1 ZINC000257273376 203002059 /nfs/dbraw/zinc/00/20/59/203002059.db2.gz NGHWRLWNTQNBPO-CYBMUJFWSA-N 0 3 315.421 0.683 40 0 DCABHN CN1CCN(C(=O)c2cncc([C@@H]3CCCN(C)C3)n2)CC1 ZINC000257275276 203004647 /nfs/dbraw/zinc/00/46/47/203004647.db2.gz NOQVLLCMVZPAJR-CYBMUJFWSA-N 0 3 303.410 0.673 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000257321111 203045809 /nfs/dbraw/zinc/04/58/09/203045809.db2.gz WADDMIHMQJJYTG-INIZCTEOSA-N 0 3 306.362 0.596 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000257342930 203065795 /nfs/dbraw/zinc/06/57/95/203065795.db2.gz ZQRDTIQFGOMWTC-ZDUSSCGKSA-N 0 3 301.774 0.786 40 0 DCABHN O=C(c1ccc2c(c1)OCO2)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257230586 256619560 /nfs/dbraw/zinc/61/95/60/256619560.db2.gz GCYPEBBAILJMMB-CHWSQXEVSA-N 0 3 304.346 0.696 40 0 DCABHN CN(C)S(=O)(=O)c1cncc(Cl)c1N1CCNCC1 ZINC000072210718 257128352 /nfs/dbraw/zinc/12/83/52/257128352.db2.gz PDBMIRGSEBBRIM-UHFFFAOYSA-N 0 3 304.803 0.395 40 0 DCABHN COc1ccc([C@@H](N)c2nnc(Cn3cncn3)[nH]2)cc1OC ZINC000095533831 257137748 /nfs/dbraw/zinc/13/77/48/257137748.db2.gz BZTYABBVHMZZOZ-CYBMUJFWSA-N 0 3 315.337 0.510 40 0 DCABHN CN1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514288577 257216323 /nfs/dbraw/zinc/21/63/23/257216323.db2.gz CUSBLRXKFRNGED-DLBZAZTESA-N 0 3 301.434 0.664 40 0 biogenic,in-vitro DCABHN c1cnc(N2CCOC3(CCN([C@@H]4CCOC4)CC3)C2)nc1 ZINC000096159050 285547088 /nfs/dbraw/zinc/54/70/88/285547088.db2.gz VVAWVFMZSWJLHN-CQSZACIVSA-N 0 3 304.394 0.937 40 0 DCABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1 ZINC000020503804 395691262 /nfs/dbraw/zinc/69/12/62/395691262.db2.gz KDWLKWSRYJUPEM-HRCADAONSA-N 0 3 324.469 0.737 40 0 biogenic,in-vitro DCABHN Cc1cnc(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)nc1 ZINC000096185611 395747414 /nfs/dbraw/zinc/74/74/14/395747414.db2.gz DQBQDSGCBASAQK-ILXRZTDVSA-N 0 3 313.409 0.976 40 0 DCABHN CN(C)CCOCc1nnc2n1CCN(Cc1ccoc1)C2 ZINC000096084414 395743849 /nfs/dbraw/zinc/74/38/49/395743849.db2.gz KHSUREHMNJPHOX-UHFFFAOYSA-N 0 3 305.382 0.965 40 0 DCABHN Cc1cnc(C(=O)N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)cn1 ZINC000096205844 395749247 /nfs/dbraw/zinc/74/92/47/395749247.db2.gz DNZOGCACNHGCNY-GOEBONIOSA-N 0 3 316.405 0.968 40 0 DCABHN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(CN2CCCCC2)C1 ZINC000096208325 395749612 /nfs/dbraw/zinc/74/96/12/395749612.db2.gz QSMMFKXRZWHXMU-KGLIPLIRSA-N 0 3 317.455 0.227 40 0 DCABHN O=C(NC1CC1)N1C[C@H]2CN(CCN3CCCC3)C(=O)[C@H]2C1 ZINC000096245050 395751496 /nfs/dbraw/zinc/75/14/96/395751496.db2.gz CQGJDLRYSMUQOJ-OCCSQVGLSA-N 0 3 306.410 0.344 40 0 DCABHN O=C(N[C@@H]1CC[C@H](O)[C@@H](N2CCCCC2)[C@@H]1O)c1cnco1 ZINC000257269823 396046324 /nfs/dbraw/zinc/04/63/24/396046324.db2.gz MROACPYWSWKGQS-ZMJPVWNMSA-N 0 3 309.366 0.143 40 0 DCABHN NC(=O)[C@H](N)CCC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000006575388 181356051 /nfs/dbraw/zinc/35/60/51/181356051.db2.gz XZPWKRZDRFWUGL-GHMZBOCLSA-N 0 3 306.391 0.259 40 0 DCABHN CNCC(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 ZINC000257276617 203003941 /nfs/dbraw/zinc/00/39/41/203003941.db2.gz NUMPXZISWHCYBG-MRXNPFEDSA-N 0 3 318.421 0.797 40 0 DCABHN Cc1nc([C@@H]2COCCN2C(=O)C2CC[NH2+]CC2)cc(=O)[n-]1 ZINC000257290418 203016047 /nfs/dbraw/zinc/01/60/47/203016047.db2.gz QCWHHPBIKGDABW-ZDUSSCGKSA-N 0 3 306.366 0.390 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2sc(C)nc2C)C1 ZINC000257318048 203043655 /nfs/dbraw/zinc/04/36/55/203043655.db2.gz VMFZTOKYQDSWDH-GFCCVEGCSA-N 0 3 324.450 0.439 40 0 DCABHN CN1CCN(C(=O)CCc2cc(Cl)no2)C[C@@H](C(N)=O)C1 ZINC000257342399 203065731 /nfs/dbraw/zinc/06/57/31/203065731.db2.gz ZOJZSDWVFOQRNJ-VIFPVBQESA-N 0 3 314.773 0.136 40 0 DCABHN Cn1cc(CN2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cn1 ZINC000096050516 193502568 /nfs/dbraw/zinc/50/25/68/193502568.db2.gz DPQOWGJPRKOLKW-MRXNPFEDSA-N 0 3 314.393 0.783 40 0 DCABHN O=C([C@@H]1CCCO1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292340 182113328 /nfs/dbraw/zinc/11/33/28/182113328.db2.gz MRSKOBZLDXWAHG-KBPBESRZSA-N 0 3 302.378 0.965 40 0 DCABHN CN1CCC(NC(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000061031196 184160124 /nfs/dbraw/zinc/16/01/24/184160124.db2.gz PYHVASGOEQNDEJ-UHFFFAOYSA-N 0 3 311.407 0.882 40 0 DCABHN COC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000242495198 257120745 /nfs/dbraw/zinc/12/07/45/257120745.db2.gz FZKSKURBGOAIMN-MGPQQGTHSA-N 0 3 313.375 0.517 40 0 DCABHN CCN(CC)C[C@@H]1OC[C@H](NC(=O)Nc2cccnc2)[C@H]1O ZINC000514289309 257216474 /nfs/dbraw/zinc/21/64/74/257216474.db2.gz PSESWXOMBDQSJC-MELADBBJSA-N 0 3 308.382 0.673 40 0 biogenic,in-vitro DCABHN CN(C)CCN1CCO[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000096054307 395741388 /nfs/dbraw/zinc/74/13/88/395741388.db2.gz HJXFFIRCOYVESQ-CABCVRRESA-N 0 3 304.394 0.168 40 0 DCABHN O=C(c1ccoc1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054382 395741699 /nfs/dbraw/zinc/74/16/99/395741699.db2.gz ZWQHKZKCQYGRGF-CVEARBPZSA-N 0 3 319.405 0.901 40 0 DCABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1c[nH]cn1 ZINC000096082439 395743990 /nfs/dbraw/zinc/74/39/90/395743990.db2.gz VIFQJRZDNYDPSZ-NWANDNLSSA-N 0 3 322.409 0.608 40 0 DCABHN CN(C)C(=O)c1cccc(C2CCN([C@@H]3COC[C@@H]3O)CC2)n1 ZINC000257250499 396043353 /nfs/dbraw/zinc/04/33/53/396043353.db2.gz JMTYXITYQJLFHZ-CVEARBPZSA-N 0 3 319.405 0.723 40 0 DCABHN CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O ZINC000077263849 396216127 /nfs/dbraw/zinc/21/61/27/396216127.db2.gz ASTQBFTWOJAJRP-NFAWXSAZSA-N 0 3 314.426 0.436 40 0 biogenic,in-vitro DCABHN COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H]([C@H]2O)N(C)CC[C@]314 ZINC000095864691 415564527 /nfs/dbraw/zinc/56/45/27/415564527.db2.gz ZDGQZOCAKDGPRA-QYCRFYRPSA-N 0 3 315.369 0.992 40 0 DCABHN O=C(NC1CC1)[C@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1 ZINC000096042768 415571678 /nfs/dbraw/zinc/57/16/78/415571678.db2.gz HLVXCPQMYJCQBP-NUEKZKHPSA-N 0 3 307.438 0.840 40 0 DCABHN CN(C)C[C@]1(O)CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000257283614 203012051 /nfs/dbraw/zinc/01/20/51/203012051.db2.gz OZAHBMINPVVPMW-CYBMUJFWSA-N 0 3 302.371 0.513 40 0 DCABHN Cc1cc(N)cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 ZINC000257319196 203042582 /nfs/dbraw/zinc/04/25/82/203042582.db2.gz VRFGVYITEOBABA-OAHLLOKOSA-N 0 3 304.394 0.968 40 0 DCABHN C(C1CC1)N1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 ZINC000096052370 395741313 /nfs/dbraw/zinc/74/13/13/395741313.db2.gz IFRHBCQUXJFFCV-IAGOWNOFSA-N 0 3 310.438 0.979 40 0 DCABHN O=C(N[C@H]1CN(CC2CC2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC000096056366 395741560 /nfs/dbraw/zinc/74/15/60/395741560.db2.gz QEZLTJDCEUEEET-KKUMJFAQSA-N 0 3 302.378 0.848 40 0 DCABHN CN(C)CCN1CCO[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000096054312 395741624 /nfs/dbraw/zinc/74/16/24/395741624.db2.gz ADVOTDPHSKDDTE-OLZOCXBDSA-N 0 3 309.435 0.835 40 0 DCABHN Cn1cc([C@@H]2CC(=O)NC23CCN([C@H]2CCOC2)CC3)cn1 ZINC000096199829 395748747 /nfs/dbraw/zinc/74/87/47/395748747.db2.gz FPLNFVWQQSMKNE-KBPBESRZSA-N 0 3 304.394 0.647 40 0 DCABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)CC[C@@H]21 ZINC000096082192 395743975 /nfs/dbraw/zinc/74/39/75/395743975.db2.gz BCMPYLDEQWLUQO-GJZGRUSLSA-N 0 3 321.425 0.277 40 0 DCABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cnccn1)CC[C@H]2OC ZINC000096110979 395745191 /nfs/dbraw/zinc/74/51/91/395745191.db2.gz ODZICCYAARHXMG-NWANDNLSSA-N 0 3 320.393 0.284 40 0 DCABHN COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1ccncc1)C2 ZINC000096206216 395749495 /nfs/dbraw/zinc/74/94/95/395749495.db2.gz LPMXJFFVHZCQAE-WBVHZDCISA-N 0 3 319.405 0.683 40 0 DCABHN OC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O ZINC000225503132 395861352 /nfs/dbraw/zinc/86/13/52/395861352.db2.gz FBCBBVAHCYDTAJ-JHEVNIALSA-N 0 3 305.296 0.898 40 0 biogenic,in-vitro DCABHN c1c(CC2(NCC3CC3)COC2)noc1CN1CCOCC1 ZINC000067898424 396038224 /nfs/dbraw/zinc/03/82/24/396038224.db2.gz AQXJSQVJWLOSAU-UHFFFAOYSA-N 0 3 307.394 0.818 40 0 biogenic,in-vitro DCABHN COc1ccc(OCC(=O)N2CC[C@](O)(CN(C)C)C2)cc1 ZINC000257267877 396044957 /nfs/dbraw/zinc/04/49/57/396044957.db2.gz MJEMDBHGENMODN-INIZCTEOSA-N 0 3 308.378 0.599 40 0 DCABHN O=C(NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O)c1ccccc1 ZINC000077264350 396216683 /nfs/dbraw/zinc/21/66/83/396216683.db2.gz MRXYSCGXEMPLAQ-KFWWJZLASA-N 0 3 316.361 0.058 40 0 biogenic,in-vitro DCABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C1CC(F)C1 ZINC000585108494 396639957 /nfs/dbraw/zinc/63/99/57/396639957.db2.gz XCSMCJAEFDYFJE-NWINJMCUSA-N 0 3 311.401 0.888 40 0 DCABHN CN(C)C(=O)C[C@@H]1COC[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 ZINC000096040824 415573917 /nfs/dbraw/zinc/57/39/17/415573917.db2.gz ZKJDCOKDJDZXQN-KFWWJZLASA-N 0 3 306.410 0.593 40 0 DCABHN CCc1noc(CCC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)n1 ZINC000257228869 416335054 /nfs/dbraw/zinc/33/50/54/416335054.db2.gz FVPNSODYEOXYQN-VXGBXAGGSA-N 0 3 308.382 0.232 40 0 DCABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218536453 416327617 /nfs/dbraw/zinc/32/76/17/416327617.db2.gz CLEKZLFEZSGJQW-SGMGOOAPSA-N 0 3 315.366 0.844 40 0 DCABHN CN(C)C(=O)CO[C@H]1CSC2(CN(C3CCOCC3)C2)C1 ZINC000248067047 276743102 /nfs/dbraw/zinc/74/31/02/276743102.db2.gz ZZYUKIGXZFESKO-CYBMUJFWSA-N 0 3 314.451 0.830 40 0 DCABHN Cc1cnc(N2C[C@H]3C[C@@H](C(=O)NCCN(C)C)[C@@H](C2)O3)nc1 ZINC000107845359 185494048 /nfs/dbraw/zinc/49/40/48/185494048.db2.gz SLMVIGVDETURLK-MGPQQGTHSA-N 0 3 319.409 0.057 40 0 DCABHN CCN(CC)CCNS(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072239021 191083227 /nfs/dbraw/zinc/08/32/27/191083227.db2.gz ICUYYQJFYNQKBD-UHFFFAOYSA-N 0 3 323.422 0.887 40 0 DCABHN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN(CCO)CCO ZINC000006617274 181361593 /nfs/dbraw/zinc/36/15/93/181361593.db2.gz DDMGCGGKEMYWRP-ANQUJSFKSA-N 0 3 315.454 0.865 40 0 DCABHN CC(=O)N[C@H]1CCN(Cc2cccc(OCCO)c2)CC[C@@H]1O ZINC000257344915 203067736 /nfs/dbraw/zinc/06/77/36/203067736.db2.gz ZZELZWADGZMDMN-IRXDYDNUSA-N 0 3 322.405 0.519 40 0 DCABHN CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(N)CN ZINC000252516675 257106617 /nfs/dbraw/zinc/10/66/17/257106617.db2.gz VXDGQQJHJDKERH-GMTAPVOTSA-N 0 3 319.224 0.616 40 0 DCABHN c1nc(CN2CCC3(C[C@@H](N4CCOCC4)CO3)CC2)c[nH]1 ZINC000096074147 395743333 /nfs/dbraw/zinc/74/33/33/395743333.db2.gz XXESZDRZPBSXLL-OAHLLOKOSA-N 0 3 306.410 0.865 40 0 DCABHN c1ncc(CN2CCC3(C[C@@H](N4CCOCC4)CO3)CC2)[nH]1 ZINC000096074147 395743334 /nfs/dbraw/zinc/74/33/34/395743334.db2.gz XXESZDRZPBSXLL-OAHLLOKOSA-N 0 3 306.410 0.865 40 0 DCABHN Cc1nc2ccccn2c1CC(=O)N1CC[C@@](O)(CN(C)C)C1 ZINC000257238159 396041763 /nfs/dbraw/zinc/04/17/63/396041763.db2.gz HJVDNVHLZVKUCR-QGZVFWFLSA-N 0 3 316.405 0.710 40 0 DCABHN Cc1noc(C)c1CCC(=O)N1CCN(C)C[C@@H](C(N)=O)C1 ZINC000257255641 396044127 /nfs/dbraw/zinc/04/41/27/396044127.db2.gz KIHWWXSRTFTGBX-GFCCVEGCSA-N 0 3 308.382 0.100 40 0 DCABHN O[C@@H]1COC[C@@H](CNCc2ccnc(-c3ccccc3)n2)[C@@H]1O ZINC000585285524 396646299 /nfs/dbraw/zinc/64/62/99/396646299.db2.gz FCKPSMKDQQMYKL-BMFZPTHFSA-N 0 3 315.373 0.601 40 0 DCABHN Cc1noc(C)c1CN1C[C@]2(CCCN(C[C@H](O)CO)C2)C1=O ZINC000585099613 396639011 /nfs/dbraw/zinc/63/90/11/396639011.db2.gz SHDKQCINRXSAGN-XJKSGUPXSA-N 0 3 323.393 0.069 40 0 DCABHN CN(C)C[C@H]1CCn2nccc2CN1C(=O)c1cnccn1 ZINC000585097893 396639206 /nfs/dbraw/zinc/63/92/06/396639206.db2.gz SPJAXXWLEYZTGB-GFCCVEGCSA-N 0 3 300.366 0.649 40 0 DCABHN CC[C@H](C)N1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099599 396639357 /nfs/dbraw/zinc/63/93/57/396639357.db2.gz RWKVSGBRSFMXRM-JSGCOSHPSA-N 0 3 302.440 0.754 40 0 DCABHN CN(C)[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)C[C@@H]1O ZINC000569985084 396934317 /nfs/dbraw/zinc/93/43/17/396934317.db2.gz HPBRUVXLXYMGSV-ROUUACIJSA-N 0 3 319.449 0.626 40 0 DCABHN COC[C@@H]1CC2(CN1CC(=O)N(C)C)CCN(C(C)=O)CC2 ZINC000096207707 415575385 /nfs/dbraw/zinc/57/53/85/415575385.db2.gz OWLGCPHSSHGVRQ-AWEZNQCLSA-N 0 3 311.426 0.424 40 0 DCABHN O=S(=O)(C1CC1)N1CCO[C@@H]2CN(C3CCC3)C[C@@H]2C1 ZINC000096205888 415577301 /nfs/dbraw/zinc/57/73/01/415577301.db2.gz YSDHHFRFLUIRGF-BXUZGUMPSA-N 0 3 300.424 0.664 40 0 DCABHN CN1CCC(N2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)CC1 ZINC000257260761 416334934 /nfs/dbraw/zinc/33/49/34/416334934.db2.gz LEFUKUCXYPEWOH-DGCLKSJQSA-N 0 3 310.423 0.012 40 0 DCABHN CNC(=O)[C@]1(CCCc2cnccn2)CCCN(CC(N)=O)C1 ZINC000257331238 416335393 /nfs/dbraw/zinc/33/53/93/416335393.db2.gz XRYABQPWPYABQZ-MRXNPFEDSA-N 0 3 319.409 0.113 40 0 DCABHN CNC(=O)C[C@]1(COC)CCCN1Cc1cnc(NC)nc1 ZINC000585279321 416519326 /nfs/dbraw/zinc/51/93/26/416519326.db2.gz XYDSYEZUTUKQFB-HNNXBMFYSA-N 0 3 307.398 0.635 40 0 DCABHN C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2CNC[C@H]2S(=O)(=O)C3)C1 ZINC000096251988 287361316 /nfs/dbraw/zinc/36/13/16/287361316.db2.gz AJUHZRLXWSEELD-KGYLQXTDSA-N 0 3 322.434 0.697 40 0 DCABHN CN1C[C@@H](C(=O)N2CC(O)C2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595478 1157780120 /nfs/dbraw/zinc/78/01/20/1157780120.db2.gz AHAZLDDTJQLYCH-IPYPFGDCSA-N 0 3 306.337 0.640 40 0 DCABHN c1cc(CN2CCN3CCCC[C@@H]3C2)nc(N2CCOCC2)n1 ZINC000072348188 191127735 /nfs/dbraw/zinc/12/77/35/191127735.db2.gz VUBDWJHMLFXSDK-MRXNPFEDSA-N 0 3 317.437 0.983 40 0 DCABHN CN1CCC[C@H](c2cnc(N3CCC(C(N)=O)CC3)cn2)C1 ZINC000072364954 191134637 /nfs/dbraw/zinc/13/46/37/191134637.db2.gz ITEYYABVGKTWOS-ZDUSSCGKSA-N 0 3 303.410 0.988 40 0 DCABHN NCC(=O)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072382981 191142956 /nfs/dbraw/zinc/14/29/56/191142956.db2.gz BCQDGCGAPCYINB-LLVKDONJSA-N 0 3 313.365 0.675 40 0 DCABHN O=C(c1n[nH]c2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257280410 203007758 /nfs/dbraw/zinc/00/77/58/203007758.db2.gz OKSPJCGRTUJXMZ-ZIAGYGMSSA-N 0 3 300.362 0.844 40 0 DCABHN CC(=O)NCc1c[nH]c([C@H]2CCN(C(=O)C3(N)CCCC3)C2)n1 ZINC000257338483 203059372 /nfs/dbraw/zinc/05/93/72/203059372.db2.gz YXPNWQBLJOEHMK-LBPRGKRZSA-N 0 3 319.409 0.633 40 0 DCABHN CC(=O)OCc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)o1 ZINC000019575255 182131278 /nfs/dbraw/zinc/13/12/78/182131278.db2.gz POMUFINPAFPRKF-MRVWCRGKSA-N 0 3 308.378 0.982 40 0 DCABHN COCCN1C[C@@H](COC)C2(C1)CCN(S(C)(=O)=O)CC2 ZINC000247825504 285061851 /nfs/dbraw/zinc/06/18/51/285061851.db2.gz FRUYBBNFNJZQJV-ZDUSSCGKSA-N 0 3 320.455 0.253 40 0 DCABHN OCCN(CCO)C[C@@H](O)COCC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000041690389 285255912 /nfs/dbraw/zinc/25/59/12/285255912.db2.gz IZBYPEFUOYFAOY-XUWVNRHRSA-N 0 3 301.427 0.477 40 0 DCABHN CCOc1cc(CNCCO)cc(Cl)c1OCC(N)=O ZINC000008253764 395684304 /nfs/dbraw/zinc/68/43/04/395684304.db2.gz HGMYCBDEGRXIQE-UHFFFAOYSA-N 0 3 302.758 0.685 40 0 DCABHN CC(C)CCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000000250809 395680124 /nfs/dbraw/zinc/68/01/24/395680124.db2.gz AQIAIEXIBRNTJJ-UHFFFAOYSA-N 0 3 322.413 0.443 40 0 DCABHN CN1[C@H]2C[C@@H](O)[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000000488597 395680400 /nfs/dbraw/zinc/68/04/00/395680400.db2.gz WTQYWNWRJNXDEG-DGXTUMSLSA-N 0 3 305.374 0.902 40 0 biogenic DCABHN O=C(c1ccco1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054381 395741736 /nfs/dbraw/zinc/74/17/36/395741736.db2.gz KOQOSEYRLAOFAD-ZBFHGGJFSA-N 0 3 319.405 0.901 40 0 DCABHN CN(C)[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1cnn(C)c1 ZINC000096061718 395742140 /nfs/dbraw/zinc/74/21/40/395742140.db2.gz UMVQDZGJIRLOBL-CABCVRRESA-N 0 3 314.393 0.598 40 0 DCABHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@H]3CCOC3)CC[C@@H]21 ZINC000096064396 395742524 /nfs/dbraw/zinc/74/25/24/395742524.db2.gz ZSAOXDLSYMPEQR-XGUBFFRZSA-N 0 3 319.409 0.236 40 0 DCABHN COCCN1CCOCC2(CCN(C(=O)c3c[nH]cn3)CC2)C1 ZINC000096078167 395743323 /nfs/dbraw/zinc/74/33/23/395743323.db2.gz DJSLGJVSAKDGTQ-UHFFFAOYSA-N 0 3 322.409 0.611 40 0 DCABHN COCCNC(=O)[C@]12COC[C@H]1CN(Cc1ccsc1)C2 ZINC000096110027 395744981 /nfs/dbraw/zinc/74/49/81/395744981.db2.gz YBXMYWRQGFOQKJ-UKRRQHHQSA-N 0 3 310.419 0.959 40 0 DCABHN COCCN1CC[C@]2(CN(Cc3cnn(C)c3)C[C@H]2C)C1=O ZINC000096201653 395748974 /nfs/dbraw/zinc/74/89/74/395748974.db2.gz KVNNDPRNTFPNKG-CZUORRHYSA-N 0 3 306.410 0.737 40 0 DCABHN CN(C)CCOCc1nnc2n1CCN(Cc1cnn(C)c1)C2 ZINC000096259016 395751866 /nfs/dbraw/zinc/75/18/66/395751866.db2.gz NRQUEKVYYPMIRS-UHFFFAOYSA-N 0 3 319.413 0.106 40 0 DCABHN Cn1cncc1CN1CCC2(CC(NS(C)(=O)=O)C2)CC1 ZINC000108525167 395790002 /nfs/dbraw/zinc/79/00/02/395790002.db2.gz NXTLXLQLJQGEQH-UHFFFAOYSA-N 0 3 312.439 0.714 40 0 DCABHN Cc1ncc(CN2C[C@H](C(=O)N3CCCC3)[C@H]3OCC[C@H]32)[nH]1 ZINC000108525904 395789789 /nfs/dbraw/zinc/78/97/89/395789789.db2.gz WQVGXCUMTAKIDG-RRFJBIMHSA-N 0 3 304.394 0.930 40 0 DCABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218536237 395843039 /nfs/dbraw/zinc/84/30/39/395843039.db2.gz CLEKZLFEZSGJQW-DYEKYZERSA-N 0 3 315.366 0.844 40 0 DCABHN COc1cc(OC)cc(C(=O)N2CC[C@](O)(CN(C)C)C2)c1 ZINC000257203199 396037114 /nfs/dbraw/zinc/03/71/14/396037114.db2.gz APAQSLUFUYCEID-INIZCTEOSA-N 0 3 308.378 0.842 40 0 DCABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1nccc2ccccc21 ZINC000257222681 396039728 /nfs/dbraw/zinc/03/97/28/396039728.db2.gz DUHZMWOYJDYOQH-KGLIPLIRSA-N 0 3 312.373 0.641 40 0 DCABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cnccn2)c1 ZINC000257251500 396043294 /nfs/dbraw/zinc/04/32/94/396043294.db2.gz JQZWOUMXIRTJTN-MRXNPFEDSA-N 0 3 311.389 0.983 40 0 DCABHN CCCn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)n1 ZINC000257254195 396044372 /nfs/dbraw/zinc/04/43/72/396044372.db2.gz KCDGPPHUHOTYQU-GHMZBOCLSA-N 0 3 300.790 0.693 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585290717 396647452 /nfs/dbraw/zinc/64/74/52/396647452.db2.gz VDHLXSIUFPEQLK-RDJZCZTQSA-N 0 3 306.406 0.505 40 0 DCABHN Cc1noc(C)c1CN1C[C@]2(CCCN(C[C@@H](O)CO)C2)C1=O ZINC000585099612 396639326 /nfs/dbraw/zinc/63/93/26/396639326.db2.gz SHDKQCINRXSAGN-CZUORRHYSA-N 0 3 323.393 0.069 40 0 DCABHN COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@@H]2CCCC3CCC[C@@H]1N32 ZINC000005759403 415134782 /nfs/dbraw/zinc/13/47/82/415134782.db2.gz PUSOSPKVIFCHMP-CYDGBPFRSA-N 0 3 309.362 0.923 40 0 DCABHN COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCCC3CCC[C@@H]1N32 ZINC000005759403 415134784 /nfs/dbraw/zinc/13/47/84/415134784.db2.gz PUSOSPKVIFCHMP-CYDGBPFRSA-N 0 3 309.362 0.923 40 0 DCABHN O=C(c1cccc([C@H]2CCCN(CCO)C2)n1)N1CCOCC1 ZINC000072358299 191130242 /nfs/dbraw/zinc/13/02/42/191130242.db2.gz SAWMPGKHGSWIRI-AWEZNQCLSA-N 0 3 319.405 0.726 40 0 DCABHN C[C@@]1(C(=O)N2CCOCC2)CN(CC2CCOCC2)CCO1 ZINC000072379828 191143213 /nfs/dbraw/zinc/14/32/13/191143213.db2.gz QXMZEDRJMHIVIE-INIZCTEOSA-N 0 3 312.410 0.363 40 0 DCABHN Cc1cc(Nc2cnccn2)nc([C@@H]2CCN(C(=O)CN)C2)n1 ZINC000072382991 191143279 /nfs/dbraw/zinc/14/32/79/191143279.db2.gz TWGZLMRZXYMTHQ-LLVKDONJSA-N 0 3 313.365 0.593 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2cccs2)C1 ZINC000257301735 203024893 /nfs/dbraw/zinc/02/48/93/203024893.db2.gz RZSVGLAFHPBZMU-GFCCVEGCSA-N 0 3 309.435 0.817 40 0 DCABHN CNC(=O)[C@@H]1CN(C(=O)C2CCC2)CCN(C2CCOCC2)C1 ZINC000257290046 203015485 /nfs/dbraw/zinc/01/54/85/203015485.db2.gz QBIVOYDQPWRFQU-AWEZNQCLSA-N 0 3 323.437 0.472 40 0 DCABHN CCn1nc(C)c(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)c1C ZINC000257327809 203051065 /nfs/dbraw/zinc/05/10/65/203051065.db2.gz XCUSLLDUIPCRGL-HOTGVXAUSA-N 0 3 308.426 0.981 40 0 DCABHN COc1ccc(N2C(=O)C[C@H](NCCc3c[nH]cn3)C2=O)cc1 ZINC000017052695 182071694 /nfs/dbraw/zinc/07/16/94/182071694.db2.gz BTNCFGDKDXJXMS-AWEZNQCLSA-N 0 3 314.345 0.883 40 0 DCABHN COCCC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019593143 182133203 /nfs/dbraw/zinc/13/32/03/182133203.db2.gz GUHHIRUPVSVJGC-LBPRGKRZSA-N 0 3 304.394 0.865 40 0 DCABHN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)c1ccccc1 ZINC000020465008 182220769 /nfs/dbraw/zinc/22/07/69/182220769.db2.gz FYQMWMLYWDNMAQ-FXUDXRNXSA-N 0 3 320.389 0.001 40 0 biogenic,in-vitro DCABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)C1(CN)CN ZINC000218144080 257131035 /nfs/dbraw/zinc/13/10/35/257131035.db2.gz HUUCMBCUMFBAET-OLZOCXBDSA-N 0 3 312.391 0.220 40 0 DCABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)C2CCC2)[C@H]1O ZINC000514289106 257216311 /nfs/dbraw/zinc/21/63/11/257216311.db2.gz SOPFLDGDNUQHSJ-CBBWQLFWSA-N 0 3 312.410 0.142 40 0 biogenic,in-vitro DCABHN O=S1(=O)N[C@@H]2CN(C3CCOCC3)C[C@@H]2Oc2ccccc21 ZINC000514289263 257216563 /nfs/dbraw/zinc/21/65/63/257216563.db2.gz GYWUECRWYDJXSV-OCCSQVGLSA-N 0 3 324.402 0.589 40 0 biogenic,in-vitro DCABHN COc1ncc(C2(O)CCN(C[C@H]3CCOC3)CC2)c(OC)n1 ZINC000012186348 395687242 /nfs/dbraw/zinc/68/72/42/395687242.db2.gz VIMVMXRICTVGQF-GFCCVEGCSA-N 0 3 323.393 0.814 40 0 DCABHN CN(C)CCNC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2nccs2)O1 ZINC000096183648 395747134 /nfs/dbraw/zinc/74/71/34/395747134.db2.gz RWBGTMWMLAFQCW-RWMBFGLXSA-N 0 3 324.450 0.553 40 0 DCABHN COCCN1CC[C@@H]2O[C@H](C(=O)NCc3cccnc3)C[C@@H]21 ZINC000096186584 395747648 /nfs/dbraw/zinc/74/76/48/395747648.db2.gz CKWWHYNTFYTIDS-KKUMJFAQSA-N 0 3 305.378 0.576 40 0 DCABHN CN(C)C(=O)CN1CCc2ncc(CN3CCCC3)n2CC1 ZINC000096196873 395748495 /nfs/dbraw/zinc/74/84/95/395748495.db2.gz VUXWRLGNLPBHTO-UHFFFAOYSA-N 0 3 305.426 0.425 40 0 DCABHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@@H]1CCOC1)CC2 ZINC000096067759 395742721 /nfs/dbraw/zinc/74/27/21/395742721.db2.gz AYYIAZMHFNLONU-CQSZACIVSA-N 0 3 319.405 0.126 40 0 DCABHN COCCN1CCO[C@@H]2CCN(C(=O)c3cnc[nH]3)CC[C@@H]21 ZINC000096082202 395743748 /nfs/dbraw/zinc/74/37/48/395743748.db2.gz CBELJQWCCYIZMB-UONOGXRCSA-N 0 3 308.382 0.362 40 0 DCABHN CN1CCN(CC2=Cc3ccccc3OC2)C[C@@H](C(N)=O)C1 ZINC000257206932 396036756 /nfs/dbraw/zinc/03/67/56/396036756.db2.gz BFNMACLQQBTCTG-HNNXBMFYSA-N 0 3 301.390 0.811 40 0 DCABHN COc1cc(OC)cc(C(=O)N2CC[C@@](O)(CN(C)C)C2)c1 ZINC000257203200 396036817 /nfs/dbraw/zinc/03/68/17/396036817.db2.gz APAQSLUFUYCEID-MRXNPFEDSA-N 0 3 308.378 0.842 40 0 DCABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cncnc2)c1 ZINC000257242613 396042780 /nfs/dbraw/zinc/04/27/80/396042780.db2.gz IDHYXAUNYAYICB-MRXNPFEDSA-N 0 3 311.389 0.983 40 0 DCABHN Cc1nc(CN2CCN(c3ccnc(N(C)C)n3)CC2)n[nH]1 ZINC000343581377 415646113 /nfs/dbraw/zinc/64/61/13/415646113.db2.gz PPVRWDBVLFIHTM-UHFFFAOYSA-N 0 3 302.386 0.291 40 0 DCABHN CCn1c2ncc3c(c2c(=O)n(CCN)c1=O)CCCC3=O ZINC000022610566 276712664 /nfs/dbraw/zinc/71/26/64/276712664.db2.gz GGWHICHGHGMVJY-UHFFFAOYSA-N 0 3 302.334 0.056 40 0 DCABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)N1CCCC1 ZINC000096083138 289152061 /nfs/dbraw/zinc/15/20/61/289152061.db2.gz OVIONMUQSQHXSH-ZIAGYGMSSA-N 0 3 308.426 0.829 40 0 DCABHN CCCN1CCN(C(=O)c2cc3n(n2)C[C@@H](N(C)C)C3)CC1 ZINC001772499528 1190702166 /nfs/dbraw/zinc/70/21/66/1190702166.db2.gz WTILSIMNIFUIPT-AWEZNQCLSA-N 0 3 305.426 0.537 40 0 DCABHN CN(C)Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cc1 ZINC000072378241 191141130 /nfs/dbraw/zinc/14/11/30/191141130.db2.gz KTPBRYXBQKYXGI-MRXNPFEDSA-N 0 3 305.378 0.465 40 0 DCABHN CN(CCC(=O)N1CCO[C@@](C)(C(N)=O)C1)Cc1cccnc1 ZINC000072379793 191142650 /nfs/dbraw/zinc/14/26/50/191142650.db2.gz BCQFLNOHKQDTKB-MRXNPFEDSA-N 0 3 320.393 0.006 40 0 DCABHN CC(=O)Nc1cnn(CC2CCN([C@@H]3COC[C@H]3O)CC2)c1 ZINC000257312553 203036397 /nfs/dbraw/zinc/03/63/97/203036397.db2.gz UOMMJXOTBVRTSB-HUUCEWRRSA-N 0 3 308.382 0.313 40 0 DCABHN CN(C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000020465257 182220983 /nfs/dbraw/zinc/22/09/83/182220983.db2.gz IIJJQPQSIIXXLW-LTIDMASMSA-N 0 3 306.406 0.096 40 0 biogenic,in-vitro DCABHN COCC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 ZINC000096228141 395750172 /nfs/dbraw/zinc/75/01/72/395750172.db2.gz QMQAJWDOKMBQTK-UHFFFAOYSA-N 0 3 323.437 0.712 40 0 DCABHN O=S(=O)(NC[C@H]1CNCc2ccnn2C1)c1ccccc1 ZINC000247298497 395970903 /nfs/dbraw/zinc/97/09/03/395970903.db2.gz DHGHDQPTHYODIO-GFCCVEGCSA-N 0 3 306.391 0.581 40 0 DCABHN Cc1ccc2nc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)cn2c1 ZINC000257221932 396039688 /nfs/dbraw/zinc/03/96/88/396039688.db2.gz DREVPKGBIJOCEV-HUUCEWRRSA-N 0 3 314.389 0.924 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1O ZINC000257248414 396043283 /nfs/dbraw/zinc/04/32/83/396043283.db2.gz JDOXMMXLZFCGIP-RKDXNWHRSA-N 0 3 306.288 0.035 40 0 DCABHN O=S(=O)(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1cccnc1 ZINC000257247973 396043339 /nfs/dbraw/zinc/04/33/39/396043339.db2.gz JBLJHCCBEYJNID-MGPQQGTHSA-N 0 3 311.407 0.348 40 0 DCABHN CN1CCN(C[C@@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000257257909 396044710 /nfs/dbraw/zinc/04/47/10/396044710.db2.gz KROZJXWNLYDBRT-MRXNPFEDSA-N 0 3 321.425 0.014 40 0 DCABHN O[C@@H]1COC[C@@H](CNCc2cnn(-c3ccc(F)cc3)c2)[C@@H]1O ZINC000585286316 396646513 /nfs/dbraw/zinc/64/65/13/396646513.db2.gz KQKIGAQPYBXNJQ-WQVCFCJDSA-N 0 3 321.352 0.469 40 0 DCABHN O[C@@H]1COC[C@@H](CNCc2ccc(Cn3cccn3)cc2)[C@@H]1O ZINC000585286610 396646604 /nfs/dbraw/zinc/64/66/04/396646604.db2.gz NIQSSRHTKCMGJE-ZACQAIPSSA-N 0 3 317.389 0.389 40 0 DCABHN CO[C@H]1[C@H](C(=O)N(C)C)CC[C@H]1N(C)C(=O)/C=C/CN(C)C ZINC000585290676 396647716 /nfs/dbraw/zinc/64/77/16/396647716.db2.gz ZZJRGNKRQFIGKL-OIAKAOIGSA-N 0 3 311.426 0.444 40 0 DCABHN COc1cc(OC)cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c1 ZINC000585182241 396642331 /nfs/dbraw/zinc/64/23/31/396642331.db2.gz ACLLULDSHVFCJN-HZPDHXFCSA-N 0 3 320.389 0.985 40 0 DCABHN O=C(N[C@H]1CN(C[C@H]2CCOC2)[C@@H]2CCCO[C@@H]21)c1ccno1 ZINC000096186900 415576129 /nfs/dbraw/zinc/57/61/29/415576129.db2.gz UPZYMIGPFFCLMH-QVHKTLOISA-N 0 3 321.377 0.673 40 0 DCABHN Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)cn1 ZINC000096043471 415573607 /nfs/dbraw/zinc/57/36/07/415573607.db2.gz YWQITGQFPGOVQH-BZUAXINKSA-N 0 3 318.421 0.926 40 0 DCABHN CC(C)Cn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(C)C)C[C@H]21 ZINC000306125818 416104143 /nfs/dbraw/zinc/10/41/43/416104143.db2.gz DCYQOTMIQJZATB-OLZOCXBDSA-N 0 3 306.410 0.889 40 0 DCABHN COC[C@H]1CC2(CN1CC(=O)N(C)C)CCN(C(C)=O)CC2 ZINC000096207706 293190125 /nfs/dbraw/zinc/19/01/25/293190125.db2.gz OWLGCPHSSHGVRQ-CQSZACIVSA-N 0 3 311.426 0.424 40 0 DCABHN C[C@@H](C(=O)NCCN(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000010111572 295777629 /nfs/dbraw/zinc/77/76/29/295777629.db2.gz HHBHYXWSIOZPCT-LBPRGKRZSA-N 0 3 313.423 0.519 40 0 DCABHN NC1(C(=O)N2CCOC[C@@H](Cc3ccncn3)C2)CCCC1 ZINC000257337108 203057938 /nfs/dbraw/zinc/05/79/38/203057938.db2.gz YRKORMIVGWOCQU-ZDUSSCGKSA-N 0 3 304.394 0.766 40 0 DCABHN O=C(c1ccccc1)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000022031812 182305929 /nfs/dbraw/zinc/30/59/29/182305929.db2.gz PIKQPNRLNXZXTG-UHFFFAOYSA-N 0 3 317.433 0.901 40 0 DCABHN O=S(=O)(N1CCOCC1)N1CCNC[C@H]1c1ccccc1 ZINC000257200771 285039591 /nfs/dbraw/zinc/03/95/91/285039591.db2.gz AEUXTMQIDPQQAC-AWEZNQCLSA-N 0 3 311.407 0.210 40 0 DCABHN N[C@H](Cc1ccccc1)c1nnc(CCN2CCOCC2)[nH]1 ZINC000095534875 257136531 /nfs/dbraw/zinc/13/65/31/257136531.db2.gz FVCUBPHMKFMURA-CQSZACIVSA-N 0 3 301.394 0.922 40 0 DCABHN N[C@H](Cc1ccccc1)c1n[nH]c(CCN2CCOCC2)n1 ZINC000095534875 257136533 /nfs/dbraw/zinc/13/65/33/257136533.db2.gz FVCUBPHMKFMURA-CQSZACIVSA-N 0 3 301.394 0.922 40 0 DCABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)COC)n1 ZINC000019760791 395691198 /nfs/dbraw/zinc/69/11/98/395691198.db2.gz SBCQMZBQAJRZSB-LBPRGKRZSA-N 0 3 307.398 0.572 40 0 DCABHN Cn1cc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cn1 ZINC000096183362 395747254 /nfs/dbraw/zinc/74/72/54/395747254.db2.gz BDOKEOIAYFGAGM-LSDHHAIUSA-N 0 3 314.393 0.548 40 0 DCABHN O=C(N[C@@H]1CN(C[C@@H]2CCOC2)[C@@H]2CCCO[C@H]12)c1ccno1 ZINC000096185947 395748003 /nfs/dbraw/zinc/74/80/03/395748003.db2.gz UPZYMIGPFFCLMH-KYEXWDHISA-N 0 3 321.377 0.673 40 0 DCABHN COCCN1CCO[C@H]2CCN(C(=O)c3cnc[nH]3)CC[C@@H]21 ZINC000096082201 395743866 /nfs/dbraw/zinc/74/38/66/395743866.db2.gz CBELJQWCCYIZMB-KBPBESRZSA-N 0 3 308.382 0.362 40 0 DCABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2 ZINC000096108400 395745179 /nfs/dbraw/zinc/74/51/79/395745179.db2.gz VMOPLOUCJHNTKQ-ZBFHGGJFSA-N 0 3 305.378 0.293 40 0 DCABHN COC[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133588 395841619 /nfs/dbraw/zinc/84/16/19/395841619.db2.gz FZKSKURBGOAIMN-RDBSUJKOSA-N 0 3 313.375 0.517 40 0 DCABHN CC(=O)NC[C@]1(O)CCN(Cc2ccc3[nH]ccc3c2)C[C@H]1O ZINC000257206425 396036999 /nfs/dbraw/zinc/03/69/99/396036999.db2.gz BDJAEXQTMJVAMV-IAGOWNOFSA-N 0 3 317.389 0.602 40 0 DCABHN Cn1c2ccccc2nc1CN1CCN(C)C[C@H](C(N)=O)C1 ZINC000257211286 396037969 /nfs/dbraw/zinc/03/79/69/396037969.db2.gz BYHJGSBVHZIVAU-LBPRGKRZSA-N 0 3 301.394 0.422 40 0 DCABHN CN(C)Cc1ccc(C(=O)N2CCN(C)C[C@H](C(N)=O)C2)cc1 ZINC000257212034 396038118 /nfs/dbraw/zinc/03/81/18/396038118.db2.gz CBQLPQVLVBTCKU-HNNXBMFYSA-N 0 3 318.421 0.237 40 0 DCABHN CCCC[C@@H](N)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585283650 396646154 /nfs/dbraw/zinc/64/61/54/396646154.db2.gz CKIMVXPPLQTJPO-IJEWVQPXSA-N 0 3 319.405 0.876 40 0 DCABHN CN(C)C[C@H]1CCn2nccc2CN1C(=O)c1ccn(C)n1 ZINC000585097398 396638516 /nfs/dbraw/zinc/63/85/16/396638516.db2.gz KYUVSQLSEXSTAI-GFCCVEGCSA-N 0 3 302.382 0.593 40 0 DCABHN CC(C)CN1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099658 396639383 /nfs/dbraw/zinc/63/93/83/396639383.db2.gz VBDNHOATOFKLEW-AWEZNQCLSA-N 0 3 302.440 0.611 40 0 DCABHN CCN1C[C@]2(CC1=O)CN(CC1CC1)CCN(C(=O)N(C)C)C2 ZINC000096036237 415571370 /nfs/dbraw/zinc/57/13/70/415571370.db2.gz BOGAZACDONXBEE-KRWDZBQOSA-N 0 3 322.453 0.934 40 0 DCABHN CC(C)NC(=O)N1CCN(CC2CC2)C[C@]2(CNC(=O)C2)C1 ZINC000096036019 415572745 /nfs/dbraw/zinc/57/27/45/415572745.db2.gz CABWFQYGGOWNTJ-INIZCTEOSA-N 0 3 308.426 0.638 40 0 DCABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000257256954 277245468 /nfs/dbraw/zinc/24/54/68/277245468.db2.gz KNNKIVDGYQTDDE-GFCCVEGCSA-N 0 3 317.380 0.948 40 0 DCABHN CN(C)C(=O)c1cnn(CC2CCN([C@H]3COC[C@@H]3O)CC2)c1 ZINC000257267814 289035016 /nfs/dbraw/zinc/03/50/16/289035016.db2.gz MIWZKQYULJKJBN-GJZGRUSLSA-N 0 3 322.409 0.057 40 0 DCABHN Cc1ncc(CN2C[C@H](C(=O)N3CCCCO3)[C@H]3OCC[C@H]32)[nH]1 ZINC000108524674 293269850 /nfs/dbraw/zinc/26/98/50/293269850.db2.gz ATWDPEMEVYMUJD-RRFJBIMHSA-N 0 3 320.393 0.861 40 0 DCABHN O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1CCCCN1[C@]21C(=O)Nc2ccccc21 ZINC000247947204 1183329481 /nfs/dbraw/zinc/32/94/81/1183329481.db2.gz RIMRKBFTWVRAFJ-MRHIQRDNSA-N 0 3 311.341 0.591 40 0 DCABHN COCCNc1ccc(C[C@@H]2CCCN(C(=O)CN)C2)nn1 ZINC000072387253 191144942 /nfs/dbraw/zinc/14/49/42/191144942.db2.gz MJNMFFJEMHMEHD-LBPRGKRZSA-N 0 3 307.398 0.275 40 0 DCABHN COc1cccc(S(=O)(=O)N2CC[C@@](O)(CN(C)C)C2)c1 ZINC000257276431 203004167 /nfs/dbraw/zinc/00/41/67/203004167.db2.gz NTSVOLFVRSPDEO-CQSZACIVSA-N 0 3 314.407 0.382 40 0 DCABHN C[C@@]1(O)CCN(C2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257288860 203015075 /nfs/dbraw/zinc/01/50/75/203015075.db2.gz PVZUAEJOXPVRBQ-IUODEOHRSA-N 0 3 309.366 0.126 40 0 DCABHN Cc1ccc(CN2C[C@@H]3CCN(CC(=O)N(C)C)C(=O)[C@H]3C2)o1 ZINC000096054626 395741344 /nfs/dbraw/zinc/74/13/44/395741344.db2.gz OPSSPJRQESIOHR-ZFWWWQNUSA-N 0 3 319.405 0.957 40 0 DCABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2N1C(C)C ZINC000096054225 395741596 /nfs/dbraw/zinc/74/15/96/395741596.db2.gz AWLVUEKPDHPKAE-SOUVJXGZSA-N 0 3 305.426 0.449 40 0 DCABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1cnn(C)c1)CC[C@H]2OC ZINC000096108541 395744999 /nfs/dbraw/zinc/74/49/99/395744999.db2.gz APBKAMNBLGXBFT-ARFHVFGLSA-N 0 3 308.426 0.588 40 0 DCABHN COCCN1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1ccno1)C2 ZINC000096202381 395749222 /nfs/dbraw/zinc/74/92/22/395749222.db2.gz ZZTASNGFJOTCHZ-CJNGLKHVSA-N 0 3 323.393 0.732 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)CCn2ncc3ccccc32)C1 ZINC000257232694 396040957 /nfs/dbraw/zinc/04/09/57/396040957.db2.gz GLZZJFDGLSHHTN-KRWDZBQOSA-N 0 3 316.405 0.951 40 0 DCABHN CN(C)C(=O)c1cccc(C2CCN([C@H]3COC[C@@H]3O)CC2)n1 ZINC000257250500 396043833 /nfs/dbraw/zinc/04/38/33/396043833.db2.gz JMTYXITYQJLFHZ-HOTGVXAUSA-N 0 3 319.405 0.723 40 0 DCABHN COc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N(C)C)[C@H]2O)c1 ZINC000257256729 396044120 /nfs/dbraw/zinc/04/41/20/396044120.db2.gz KMPWASRYACDSLO-WCVJEAGWSA-N 0 3 308.378 0.642 40 0 DCABHN NC(=O)CN1CCCC[C@H]2CN(C(=O)c3ccccn3)CC[C@H]21 ZINC000257262247 396044518 /nfs/dbraw/zinc/04/45/18/396044518.db2.gz LKSIHGONKVOHMV-DZGCQCFKSA-N 0 3 316.405 0.884 40 0 DCABHN CN1CCC(C)(C(=O)N2CCC[C@@](O)(CCC(N)=O)C2)CC1 ZINC000585279695 396645611 /nfs/dbraw/zinc/64/56/11/396645611.db2.gz XGNQDFSSHUNKQX-MRXNPFEDSA-N 0 3 311.426 0.337 40 0 DCABHN CN(C)C/C=C/C(=O)N1CCC[C@@](O)(CCC(=O)N(C)C)C1 ZINC000585290408 396647420 /nfs/dbraw/zinc/64/74/20/396647420.db2.gz WAQZLBOYEJDCBW-BIENSFFJSA-N 0 3 311.426 0.326 40 0 DCABHN CN(C)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585292205 396648538 /nfs/dbraw/zinc/64/85/38/396648538.db2.gz YJZKUWQTUOSXJK-HIFRSBDPSA-N 0 3 312.797 0.378 40 0 DCABHN CN(C)C(=O)COC[C@H]1Cn2nccc2CN(CC2CC2)C1 ZINC000096189075 415577021 /nfs/dbraw/zinc/57/70/21/415577021.db2.gz ROSRWAMGRJOOPK-CQSZACIVSA-N 0 3 306.410 0.830 40 0 DCABHN Cc1cc(C(=O)N2CCN(C)CC2)nc([C@H]2CCCN(C)C2)n1 ZINC000072369289 191139060 /nfs/dbraw/zinc/13/90/60/191139060.db2.gz UNWZJXZAUXSEJC-AWEZNQCLSA-N 0 3 317.437 0.982 40 0 DCABHN Cc1nc([C@H]2CN(C(=O)C3([NH3+])CCCC3)CCO2)cc(=O)[n-]1 ZINC000257300171 203024842 /nfs/dbraw/zinc/02/48/42/203024842.db2.gz RTERWCYOZPQSER-GFCCVEGCSA-N 0 3 306.366 0.662 40 0 DCABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 ZINC000257319195 203044045 /nfs/dbraw/zinc/04/40/45/203044045.db2.gz VRFGVYITEOBABA-HNNXBMFYSA-N 0 3 304.394 0.968 40 0 DCABHN N[C@H](c1n[nH]c(CCN2CCOCC2)n1)c1ccc(F)cc1 ZINC000095533292 257137427 /nfs/dbraw/zinc/13/74/27/257137427.db2.gz VXSATISJRGSSNU-AWEZNQCLSA-N 0 3 305.357 0.867 40 0 DCABHN COCCN1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 ZINC000096160727 395746614 /nfs/dbraw/zinc/74/66/14/395746614.db2.gz AWOHEDNDROKMMM-GDBMZVCRSA-N 0 3 323.393 0.140 40 0 DCABHN CNC(=O)CO[C@H]1CO[C@@]2(C1)CCCN(Cc1cnc[nH]1)C2 ZINC000096073548 395743275 /nfs/dbraw/zinc/74/32/75/395743275.db2.gz OQFKRDPPUDGWME-UKRRQHHQSA-N 0 3 308.382 0.296 40 0 DCABHN CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1cccnc1)C2 ZINC000096108698 395745113 /nfs/dbraw/zinc/74/51/13/395745113.db2.gz MUUIHVVQOOECIF-WBVHZDCISA-N 0 3 319.405 0.635 40 0 DCABHN COCCNC(=O)[C@]12COC[C@H]1CN(Cc1ccccn1)C2 ZINC000096110028 395745142 /nfs/dbraw/zinc/74/51/42/395745142.db2.gz QPRWBGQEJNPQAT-CZUORRHYSA-N 0 3 305.378 0.293 40 0 DCABHN OCCN1CCOC[C@@]2(C[C@@H](CNc3ccccn3)CO2)C1 ZINC000096240675 395751087 /nfs/dbraw/zinc/75/10/87/395751087.db2.gz WCVQPAPZPRKBSH-GOEBONIOSA-N 0 3 307.394 0.593 40 0 DCABHN O=S(=O)(NC[C@@H]1CNCc2ccnn2C1)c1ccccc1 ZINC000247298509 395970757 /nfs/dbraw/zinc/97/07/57/395970757.db2.gz DHGHDQPTHYODIO-LBPRGKRZSA-N 0 3 306.391 0.581 40 0 DCABHN CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)N2Cc2cncn2C)C1 ZINC000257256346 396044620 /nfs/dbraw/zinc/04/46/20/396044620.db2.gz KLAZRYXZLXEJDF-CWRNSKLLSA-N 0 3 306.410 0.614 40 0 DCABHN Cc1noc(C)c1CN1C[C@@]2(CCCN(C[C@H](O)CO)C2)C1=O ZINC000585099609 396639155 /nfs/dbraw/zinc/63/91/55/396639155.db2.gz SHDKQCINRXSAGN-BBRMVZONSA-N 0 3 323.393 0.069 40 0 DCABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(OC)cc1 ZINC000298084732 415992083 /nfs/dbraw/zinc/99/20/83/415992083.db2.gz DZWHIYSEOLBJIR-CQSZACIVSA-N 0 3 319.405 0.912 40 0 DCABHN CC(C)Cn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(C)C)C[C@@H]21 ZINC000306125817 416104551 /nfs/dbraw/zinc/10/45/51/416104551.db2.gz DCYQOTMIQJZATB-CHWSQXEVSA-N 0 3 306.410 0.889 40 0 DCABHN O=c1cc(C[C@@H]2COCC[N@@H+](CC3(O)CCOCC3)C2)nc[n-]1 ZINC000257259329 416335087 /nfs/dbraw/zinc/33/50/87/416335087.db2.gz KXVDQPGOCZODNN-ZDUSSCGKSA-N 0 3 323.393 0.215 40 0 DCABHN O=c1cc(C[C@@H]2COCC[N@H+](CC3(O)CCOCC3)C2)nc[n-]1 ZINC000257259329 416335088 /nfs/dbraw/zinc/33/50/88/416335088.db2.gz KXVDQPGOCZODNN-ZDUSSCGKSA-N 0 3 323.393 0.215 40 0 DCABHN Cn1ccnc1CNC(=O)[C@H]1CN(c2ccncc2)CCO1 ZINC000072366509 191135756 /nfs/dbraw/zinc/13/57/56/191135756.db2.gz IRZXFFROEQJNNM-CYBMUJFWSA-N 0 3 301.350 0.337 40 0 DCABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3cccn3C)C2)O1 ZINC000248129761 202722280 /nfs/dbraw/zinc/72/22/80/202722280.db2.gz PXYUDLQUTHLORH-WMLDXEAASA-N 0 3 321.421 0.977 40 0 DCABHN COc1ccc(S(=O)(=O)N2CC[C@](O)(CN(C)C)C2)cc1 ZINC000257277878 203006132 /nfs/dbraw/zinc/00/61/32/203006132.db2.gz NZWMDJFSAKMARY-AWEZNQCLSA-N 0 3 314.407 0.382 40 0 DCABHN Cc1nc([C@@H]2CN(C(=O)C3([NH3+])CCCC3)CCO2)cc(=O)[n-]1 ZINC000257300172 203026075 /nfs/dbraw/zinc/02/60/75/203026075.db2.gz RTERWCYOZPQSER-LBPRGKRZSA-N 0 3 306.366 0.662 40 0 DCABHN CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)CC3CC3)C2)CC1 ZINC000257303624 203028155 /nfs/dbraw/zinc/02/81/55/203028155.db2.gz SHYWBKKWHVSCDS-QGZVFWFLSA-N 0 3 323.437 0.350 40 0 DCABHN CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)C[C@@H](C(N)=O)C1 ZINC000257342701 203065308 /nfs/dbraw/zinc/06/53/08/203065308.db2.gz ZPUBTUGKCNNQSD-INIZCTEOSA-N 0 3 315.417 0.593 40 0 DCABHN O=C(c1n[nH]c2c1CN([C@@H]1CCOC1)CC2)N1CCOCC1 ZINC000096187403 395748047 /nfs/dbraw/zinc/74/80/47/395748047.db2.gz JFMORQHEILVLGS-LLVKDONJSA-N 0 3 306.366 0.029 40 0 DCABHN COCCO[C@H]1CCN([C@@H]2CCOC2)[C@H]1Cc1cnn(C)c1 ZINC000096200666 395748700 /nfs/dbraw/zinc/74/87/00/395748700.db2.gz SHHRFJPECMNSBP-PMPSAXMXSA-N 0 3 309.410 0.857 40 0 DCABHN Cc1ccc(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)nn1 ZINC000096064389 395742463 /nfs/dbraw/zinc/74/24/63/395742463.db2.gz YGNCOZJTKXYQKL-ILXRZTDVSA-N 0 3 313.409 0.976 40 0 DCABHN CS(=O)(=O)N1CC[C@]2(C[C@@H](OCCN3CCCC3)CO2)C1 ZINC000096110892 395744663 /nfs/dbraw/zinc/74/46/63/395744663.db2.gz VYYIKYFLJGIEMZ-KGLIPLIRSA-N 0 3 318.439 0.292 40 0 DCABHN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(CCO)C2 ZINC000096237884 395751074 /nfs/dbraw/zinc/75/10/74/395751074.db2.gz WRQRPOOFDYAMEP-INIZCTEOSA-N 0 3 307.369 0.541 40 0 DCABHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@H](N3CCCC3)C2)C1 ZINC000245399126 395928300 /nfs/dbraw/zinc/92/83/00/395928300.db2.gz VSXCBFZUXDQQGI-HZPDHXFCSA-N 0 3 322.453 0.284 40 0 DCABHN CC(=O)N1CCN(Cc2cccc3[nH]ccc32)C[C@@H](C(N)=O)C1 ZINC000257200008 396036358 /nfs/dbraw/zinc/03/63/58/396036358.db2.gz ABPNHELFLXPOHS-CQSZACIVSA-N 0 3 314.389 0.934 40 0 DCABHN Cc1nc([C@H]2COCCN2C(=O)C2CC[NH+](C)CC2)cc(=O)[n-]1 ZINC000257223212 396040304 /nfs/dbraw/zinc/04/03/04/396040304.db2.gz DWKDRXYVUPNILE-CQSZACIVSA-N 0 3 320.393 0.732 40 0 DCABHN CN(C)C[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O ZINC000585286949 396646921 /nfs/dbraw/zinc/64/69/21/396646921.db2.gz YJVNSTGXQDKUSU-HIFRSBDPSA-N 0 3 312.797 0.840 40 0 DCABHN Cc1noc(C)c1CN1C[C@@]2(CCCN(C[C@@H](O)CO)C2)C1=O ZINC000585099611 396639310 /nfs/dbraw/zinc/63/93/10/396639310.db2.gz SHDKQCINRXSAGN-CJNGLKHVSA-N 0 3 323.393 0.069 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)c2cc(-c3cnn(C)c3)on2)C1 ZINC000585182351 396642211 /nfs/dbraw/zinc/64/22/11/396642211.db2.gz YYRGEYVSXMCAFI-OAHLLOKOSA-N 0 3 319.365 0.214 40 0 DCABHN CN(C)C[C@@]1(O)CCN(C(=O)c2cc(-c3cnn(C)c3)on2)C1 ZINC000585182350 396642310 /nfs/dbraw/zinc/64/23/10/396642310.db2.gz YYRGEYVSXMCAFI-HNNXBMFYSA-N 0 3 319.365 0.214 40 0 DCABHN CN1CCc2c(cnc3nc(N4CCOCC4)[nH]c(=O)c32)C1 ZINC000022606970 415159893 /nfs/dbraw/zinc/15/98/93/415159893.db2.gz MMUDVPKRTLPHIM-UHFFFAOYSA-N 0 3 301.350 0.143 40 0 DCABHN O=C([C@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21)N1CCCO1 ZINC000096040804 415570663 /nfs/dbraw/zinc/57/06/63/415570663.db2.gz JYOQALFTEXWDQS-OAGGEKHMSA-N 0 3 317.389 0.940 40 0 DCABHN CC(C)NC(=O)N1CCN(CC2CC2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036119 415572214 /nfs/dbraw/zinc/57/22/14/415572214.db2.gz AGOWYPROFIDKNI-KRWDZBQOSA-N 0 3 322.453 0.981 40 0 DCABHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]21 ZINC000096066358 415576908 /nfs/dbraw/zinc/57/69/08/415576908.db2.gz SGRQZUFEONRMFW-RBSFLKMASA-N 0 3 306.410 0.735 40 0 DCABHN CC(C)NC(=O)N1CCC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC000096223851 415577087 /nfs/dbraw/zinc/57/70/87/415577087.db2.gz GGNSNAMXKZHBEI-INIZCTEOSA-N 0 3 310.442 0.981 40 0 DCABHN COCCNC(=O)[C@H]1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC000107254081 415658911 /nfs/dbraw/zinc/65/89/11/415658911.db2.gz OSLHYOBTSPKLTH-QKDCVEJESA-N 0 3 306.410 0.641 40 0 DCABHN Cc1cc(C)nc(NCC2(N3CCOCC3)CCOCC2)n1 ZINC000334023474 415788702 /nfs/dbraw/zinc/78/87/02/415788702.db2.gz FJINMFWLRCBCRH-UHFFFAOYSA-N 0 3 306.410 1.387 40 0 DCABHN NCC(=O)N1CCC[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000072360872 191131673 /nfs/dbraw/zinc/13/16/73/191131673.db2.gz WVFDCMRDQWVAAU-LLVKDONJSA-N 0 3 313.365 0.675 40 0 DCABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000257321112 203046012 /nfs/dbraw/zinc/04/60/12/203046012.db2.gz WADDMIHMQJJYTG-MRXNPFEDSA-N 0 3 306.362 0.596 40 0 DCABHN COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)C ZINC000257322803 203047927 /nfs/dbraw/zinc/04/79/27/203047927.db2.gz WHLMHRVRYAOENI-VDERGJSUSA-N 0 3 308.378 0.260 40 0 DCABHN CN1CCN(CCCNC(=O)c2noc3c2CCCC3)CC1 ZINC000036620540 395723869 /nfs/dbraw/zinc/72/38/69/395723869.db2.gz QILONNHNACCBJP-UHFFFAOYSA-N 0 3 306.410 0.921 40 0 DCABHN COCCO[C@@H]1C[C@H]2CN(C(=O)Cc3ccccn3)CCN2C1 ZINC000096183209 395747210 /nfs/dbraw/zinc/74/72/10/395747210.db2.gz NJJOBSGHUOUPKR-JKSUJKDBSA-N 0 3 319.405 0.572 40 0 DCABHN COCCN1CC[C@H]2O[C@@H](C(=O)NCc3cccnc3)CC[C@H]21 ZINC000096065522 395742760 /nfs/dbraw/zinc/74/27/60/395742760.db2.gz KUQGLJHNTFBLMQ-BZUAXINKSA-N 0 3 319.405 0.966 40 0 DCABHN CN1CCN([C@H]2COC3(C2)CCN(Cc2cc[nH]n2)CC3)CC1 ZINC000096074164 395743522 /nfs/dbraw/zinc/74/35/22/395743522.db2.gz XEQFOUCEDIBZQA-MRXNPFEDSA-N 0 3 319.453 0.781 40 0 DCABHN COCCNC(=O)[C@H]1CN(Cc2ncccc2C)[C@@H]2CCO[C@@H]21 ZINC000108527763 395790611 /nfs/dbraw/zinc/79/06/11/395790611.db2.gz XGYVLCYQVBWRMT-NUEKZKHPSA-N 0 3 319.405 0.742 40 0 DCABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cncnc2)c1 ZINC000257242612 396042793 /nfs/dbraw/zinc/04/27/93/396042793.db2.gz IDHYXAUNYAYICB-INIZCTEOSA-N 0 3 311.389 0.983 40 0 DCABHN CS(=O)(=O)N1CCC[C@@]12CCN(C1CCCC1)C[C@@H]2O ZINC000257250829 396043404 /nfs/dbraw/zinc/04/34/04/396043404.db2.gz JODSFCVKTIZWRB-KBPBESRZSA-N 0 3 302.440 0.790 40 0 DCABHN O=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)C1CCCC1 ZINC000077264013 396216273 /nfs/dbraw/zinc/21/62/73/396216273.db2.gz HUSODUJTSDCKDK-KFWWJZLASA-N 0 3 312.410 0.190 40 0 biogenic,in-vitro DCABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585290986 396648575 /nfs/dbraw/zinc/64/85/75/396648575.db2.gz YTRUOWLVFASJRM-ZFWWWQNUSA-N 0 3 312.797 0.840 40 0 DCABHN CCN1CCO[C@@H]2CN(C(=O)Cc3ccn(C)n3)CC[C@@H]2C1 ZINC000585108009 396640066 /nfs/dbraw/zinc/64/00/66/396640066.db2.gz UXPZPISIEHHKOB-UKRRQHHQSA-N 0 3 306.410 0.532 40 0 DCABHN COc1ccc(Cn2cc(C(=O)NCCN(C)C)nn2)cc1 ZINC000072341626 415414722 /nfs/dbraw/zinc/41/47/22/415414722.db2.gz DFVWLLAGEBCMJV-UHFFFAOYSA-N 0 3 303.366 0.626 40 0 DCABHN COC[C@H]1CC2(CN1C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096208621 415574951 /nfs/dbraw/zinc/57/49/51/415574951.db2.gz AKRQAKKPCKJJPZ-GFCCVEGCSA-N 0 3 305.444 0.226 40 0 DCABHN Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C)C1 ZINC000096244585 415575968 /nfs/dbraw/zinc/57/59/68/415575968.db2.gz FSQRQWDDUPLMIZ-INIZCTEOSA-N 0 3 304.394 0.725 40 0 DCABHN COCCOC[C@]1(CNCc2cccnc2)C[C@@H](O)[C@@H](O)C1 ZINC000107283911 415662148 /nfs/dbraw/zinc/66/21/48/415662148.db2.gz BBOAVWUIKLDNQF-MUJYYYPQSA-N 0 3 310.394 0.336 40 0 biogenic,in-vitro DCABHN CN(C)CCNC(=O)[C@@H]1C[C@]2(CO1)CN(C)c1ccccc12 ZINC000107275425 415664767 /nfs/dbraw/zinc/66/47/67/415664767.db2.gz GKQWKTVFGSJBKW-DOTOQJQBSA-N 0 3 303.406 0.841 40 0 DCABHN Cn1cc([C@H]2CC(=O)NC23CCN([C@H]2CCOC2)CC3)cn1 ZINC000096199830 279349046 /nfs/dbraw/zinc/34/90/46/279349046.db2.gz FPLNFVWQQSMKNE-UONOGXRCSA-N 0 3 304.394 0.647 40 0 DCABHN CNC(=O)[C@@H]1C[C@@H](N)[C@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000113385866 290587659 /nfs/dbraw/zinc/58/76/59/290587659.db2.gz QDBUSBYREMIDGE-VWYCJHECSA-N 0 3 315.295 0.964 40 0 DCABHN CS(=O)(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096064689 295523591 /nfs/dbraw/zinc/52/35/91/295523591.db2.gz YMXNHLVDMZLCFL-STQMWFEESA-N 0 3 315.439 0.107 40 0 DCABHN O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cccs1 ZINC000952844673 768908841 /nfs/dbraw/zinc/90/88/41/768908841.db2.gz FULLBSPONYIGLL-XGFWRYKXSA-N 0 3 307.375 0.760 40 0 biogenic,in-vitro DCABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2cccs2)C1 ZINC000257301736 203024882 /nfs/dbraw/zinc/02/48/82/203024882.db2.gz RZSVGLAFHPBZMU-LBPRGKRZSA-N 0 3 309.435 0.817 40 0 DCABHN O=C(CO)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257288842 203015057 /nfs/dbraw/zinc/01/50/57/203015057.db2.gz PVYKZQLDIXOZMM-ZDUSSCGKSA-N 0 3 306.353 0.453 40 0 DCABHN CN(C)[C@@H]1CN(C(=O)CCN(C)Cc2cccnc2)C[C@H]1O ZINC000257329053 203052786 /nfs/dbraw/zinc/05/27/86/203052786.db2.gz XIERNRUFLLKKQO-HUUCEWRRSA-N 0 3 306.410 0.037 40 0 DCABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(OC(C)C)cc1 ZINC000257341558 203061894 /nfs/dbraw/zinc/06/18/94/203061894.db2.gz ZKWUQNFHAUUGHY-CABCVRRESA-N 0 3 319.405 0.880 40 0 DCABHN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCCC3CCC[C@@H]1N32 ZINC000017174857 284311840 /nfs/dbraw/zinc/31/18/40/284311840.db2.gz PUSOSPKVIFCHMP-LGNXWEDYSA-N 0 3 309.362 0.923 40 0 DCABHN CCn1cc(-c2cncn2CCN[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000019719595 182138314 /nfs/dbraw/zinc/13/83/14/182138314.db2.gz LRGNQHRZDWILTF-CYBMUJFWSA-N 0 3 323.422 0.543 40 0 DCABHN N[C@@H](Cc1ccccc1)c1nnc(CCN2CCOCC2)[nH]1 ZINC000095534874 257136718 /nfs/dbraw/zinc/13/67/18/257136718.db2.gz FVCUBPHMKFMURA-AWEZNQCLSA-N 0 3 301.394 0.922 40 0 DCABHN N[C@@H](Cc1ccccc1)c1n[nH]c(CCN2CCOCC2)n1 ZINC000095534874 257136719 /nfs/dbraw/zinc/13/67/19/257136719.db2.gz FVCUBPHMKFMURA-AWEZNQCLSA-N 0 3 301.394 0.922 40 0 DCABHN CN(C)[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1Cc1cnn(C)c1 ZINC000096200910 395748742 /nfs/dbraw/zinc/74/87/42/395748742.db2.gz JQZHAGQQFFFIIE-CABCVRRESA-N 0 3 314.393 0.598 40 0 DCABHN COc1ccc(OCC(=O)N2CC[C@@](O)(CN(C)C)C2)cc1 ZINC000257267878 396045565 /nfs/dbraw/zinc/04/55/65/396045565.db2.gz MJEMDBHGENMODN-MRXNPFEDSA-N 0 3 308.378 0.599 40 0 DCABHN Cc1nocc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC000585108418 396640003 /nfs/dbraw/zinc/64/00/03/396640003.db2.gz FUYBYBJYWXMMIE-ZIAGYGMSSA-N 0 3 320.393 0.750 40 0 DCABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)OCC(=O)N3CC2CC2)CC1 ZINC000067897124 415388034 /nfs/dbraw/zinc/38/80/34/415388034.db2.gz UPRBDWMEBHIYEC-CVEARBPZSA-N 0 3 321.421 0.319 40 0 biogenic,in-vitro DCABHN CC(C)N1CCOC[C@]2(CN(Cc3cnn(C)c3)CCO2)C1 ZINC000096049721 415576161 /nfs/dbraw/zinc/57/61/61/415576161.db2.gz NPBXRYUEAQZBOV-INIZCTEOSA-N 0 3 308.426 0.732 40 0 DCABHN O=S(=O)(C1CCCC1)N1CC[C@@](O)(CN2CCCC2)C1 ZINC000257332161 416335415 /nfs/dbraw/zinc/33/54/15/416335415.db2.gz XVZUECPBDBLTMP-CQSZACIVSA-N 0 3 302.440 0.791 40 0 DCABHN CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008297957 666743715 /nfs/dbraw/zinc/74/37/15/666743715.db2.gz RVGLVQANUUTYOV-CFVMTHIKSA-N 0 3 321.425 0.048 40 0 biogenic,in-vitro DCABHN