smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)Cc1ccc(N(C)C)cc1)c1nncn1C ZINC000218307960 359049171 /nfs/dbraw/zinc/04/91/71/359049171.db2.gz OIAXVPPUBKRDHU-NSHDSACASA-N 0 0 287.367 1.301 50 70 CDIARN CC[C@@H](Cn1ccnc1)NC(=O)c1ccncc1O ZINC000218286933 359049198 /nfs/dbraw/zinc/04/91/98/359049198.db2.gz SAWKJFBZDOZCRQ-JTQLQIEISA-N 0 0 260.297 1.192 50 70 CDIARN Cc1cccc(CCNC(=O)c2cc(Cl)c[nH]c2=O)n1 ZINC000217894596 359030391 /nfs/dbraw/zinc/03/03/91/359030391.db2.gz RDANPEUSXFBLRX-UHFFFAOYSA-N 0 0 291.738 1.704 50 70 CDIARN Cc1nc(N)nc(N[C@H]2C[C@@H]3OCC[C@H]23)c1Cl ZINC000218063622 359038113 /nfs/dbraw/zinc/03/81/13/359038113.db2.gz TWSFKZFWQWUHSY-CSMHCCOUSA-N 0 0 254.721 1.610 50 70 CDIARN CN(C)C(=O)NCC(=O)N1CCC(c2ccncc2)CC1 ZINC000217167037 358983075 /nfs/dbraw/zinc/98/30/75/358983075.db2.gz VHZIWDFGILQCLW-UHFFFAOYSA-N 0 0 290.367 1.059 50 70 CDIARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cnco1 ZINC000218476839 359055709 /nfs/dbraw/zinc/05/57/09/359055709.db2.gz KSPTYGXKMZTNOU-DGCLKSJQSA-N 0 0 280.324 1.545 50 70 CDIARN CN(CC1(CO)CCCC1)C(=O)c1cc(CO)ccn1 ZINC000218577639 359058403 /nfs/dbraw/zinc/05/84/03/359058403.db2.gz NBVVFXYTOGBUSD-UHFFFAOYSA-N 0 0 278.352 1.199 50 70 CDIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)CC(C)C)o1 ZINC000217729072 375718595 /nfs/dbraw/zinc/71/85/95/375718595.db2.gz RKEUPAOPKSFHNR-VIFPVBQESA-N 0 0 253.298 1.659 50 70 biogenic CDIARN CCCNC(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218238678 348744590 /nfs/dbraw/zinc/74/45/90/348744590.db2.gz BIOGBPXIZOSKAU-UHFFFAOYSA-N 0 0 266.345 1.841 50 70 CDIARN Cc1nc2cc(CNC(=O)CCCn3cncn3)ccc2[nH]1 ZINC000217018424 358974888 /nfs/dbraw/zinc/97/48/88/358974888.db2.gz POODINPAZZDGSW-UHFFFAOYSA-N 0 0 298.350 1.559 50 70 CDIARN CSCC[C@H](O)C(=O)NCCc1scnc1C ZINC000217035104 358975966 /nfs/dbraw/zinc/97/59/66/358975966.db2.gz ISTGQGLLORHKNZ-VIFPVBQESA-N 0 0 274.411 1.224 50 70 CDIARN CC[C@H](NC(=O)c1cnc[nH]c1=O)c1nc(C)c(C)s1 ZINC000218309968 359049743 /nfs/dbraw/zinc/04/97/43/359049743.db2.gz VHRODICIFZDKPK-JTQLQIEISA-N 0 0 292.364 1.724 50 70 CDIARN Cc1cc(C[C@H](C)NC(=O)c2c(C)noc2C)[nH]n1 ZINC000161255408 364469134 /nfs/dbraw/zinc/46/91/34/364469134.db2.gz KGKHJCRPTKAMTM-ZETCQYMHSA-N 0 0 262.313 1.684 50 70 CDIARN Cc1nc(N)ncc1C(=O)N(C)CCc1ccncc1 ZINC000217079850 189708254 /nfs/dbraw/zinc/70/82/54/189708254.db2.gz DXRDZZGDIZZKJG-UHFFFAOYSA-N 0 0 271.324 1.077 50 70 CDIARN COCCNC(=O)NCC[C@H](O)c1ccsc1 ZINC000217544434 375668380 /nfs/dbraw/zinc/66/83/80/375668380.db2.gz KHGVUGLBTQZPDT-JTQLQIEISA-N 0 0 258.343 1.117 50 70 CDIARN CCN(CCn1cccn1)C(=O)CCc1cccnc1 ZINC000218120725 256891648 /nfs/dbraw/zinc/89/16/48/256891648.db2.gz PYPAOHUNFYWGLW-UHFFFAOYSA-N 0 0 272.352 1.759 50 70 CDIARN Cc1n[nH]c(C)c1CNC(=O)CN(C)Cc1cccnc1 ZINC000217690431 359020075 /nfs/dbraw/zinc/02/00/75/359020075.db2.gz NIEINQGZQASILU-UHFFFAOYSA-N 0 0 287.367 1.170 50 70 CDIARN Cc1n[nH]c(CN2CCCn3nc(CO)cc3C2)c1Cl ZINC000217917340 359031502 /nfs/dbraw/zinc/03/15/02/359031502.db2.gz VUGMMFJPPDHTMO-UHFFFAOYSA-N 0 0 295.774 1.466 50 70 CDIARN CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)cn1 ZINC000218206379 359045744 /nfs/dbraw/zinc/04/57/44/359045744.db2.gz ADLJJTFHLVNJKX-MWLCHTKSSA-N 0 0 270.716 1.269 50 70 CDIARN C[C@@H](Cc1cccnc1)NC(=O)c1ccc(=O)[nH]c1 ZINC000217629084 359015582 /nfs/dbraw/zinc/01/55/82/359015582.db2.gz SXZWKRABEJIRPD-JTQLQIEISA-N 0 0 257.293 1.131 50 70 CDIARN CN(CC1(CO)CCOCC1)C(=O)c1ccc(F)c(F)c1 ZINC000218701303 359062540 /nfs/dbraw/zinc/06/25/40/359062540.db2.gz ZFECXCXXJWHKDP-UHFFFAOYSA-N 0 0 299.317 1.826 50 70 CDIARN COC(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O ZINC000217046052 358977159 /nfs/dbraw/zinc/97/71/59/358977159.db2.gz UBYCAYQBVIHEER-UHFFFAOYSA-N 0 0 282.239 1.896 50 70 CDIARN CCOCCC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC000217431764 359002412 /nfs/dbraw/zinc/00/24/12/359002412.db2.gz ALTOMEKLWLAAJR-OAHLLOKOSA-N 0 0 276.380 1.928 50 70 CDIARN Cc1nc2c(c(=O)n1C)CN(C(=O)CCC(F)(F)F)C2 ZINC000217489153 359005255 /nfs/dbraw/zinc/00/52/55/359005255.db2.gz UZUKBIPQRLZYDZ-UHFFFAOYSA-N 0 0 289.257 1.273 50 70 CDIARN O=C(c1cccn1C1CC1)N1CCn2nc(CO)cc2C1 ZINC000217506432 359005646 /nfs/dbraw/zinc/00/56/46/359005646.db2.gz BGJFRQNFJYWKKJ-UHFFFAOYSA-N 0 0 286.335 1.168 50 70 CDIARN Cc1nn(C)c(C)c1C(=O)N[C@H](C)Cc1cccnc1 ZINC000217132835 189708699 /nfs/dbraw/zinc/70/86/99/189708699.db2.gz QFLKFEQRSOJHAE-SNVBAGLBSA-N 0 0 272.352 1.793 50 70 CDIARN CC[C@@H](NC(=O)c1cnc[nH]c1=O)c1nc(C)c(C)s1 ZINC000218309913 359049204 /nfs/dbraw/zinc/04/92/04/359049204.db2.gz VHRODICIFZDKPK-SNVBAGLBSA-N 0 0 292.364 1.724 50 70 CDIARN COCc1cc(CNC(=O)Cc2c[nH]c3ccccc23)[nH]n1 ZINC000218154995 359044122 /nfs/dbraw/zinc/04/41/22/359044122.db2.gz MLYUFYGUFCERQV-UHFFFAOYSA-N 0 0 298.346 1.896 50 70 CDIARN Cc1ccc(CCNC(=O)C[C@H]2C=CS(=O)(=O)C2)o1 ZINC000218236482 359046610 /nfs/dbraw/zinc/04/66/10/359046610.db2.gz USRGRNSFQYCSQT-LLVKDONJSA-N 0 0 283.349 1.195 50 70 CDIARN Nc1n[nH]c(C(=O)NCCc2cn[nH]c2)c1-c1ccccc1 ZINC000217214218 358985411 /nfs/dbraw/zinc/98/54/11/358985411.db2.gz NBEMCQOKTGYSDE-UHFFFAOYSA-N 0 0 296.334 1.355 50 70 CDIARN O=C(NCCc1noc(C2CCC2)n1)[C@@H]1CCCO1 ZINC000217624436 359014641 /nfs/dbraw/zinc/01/46/41/359014641.db2.gz UCVCURKCNRERNU-JTQLQIEISA-N 0 0 265.313 1.175 50 70 CDIARN CC(C)CNC(=O)Cn1cc(-c2ccccc2)ncc1=O ZINC000218370624 359051877 /nfs/dbraw/zinc/05/18/77/359051877.db2.gz ZQICGVYWSWEVNQ-UHFFFAOYSA-N 0 0 285.347 1.683 50 70 CDIARN CC(C)CCc1cc(C(=O)N[C@H](CO)C(C)C)[nH]n1 ZINC000218200555 359045985 /nfs/dbraw/zinc/04/59/85/359045985.db2.gz YCGPXJDMRAFYQD-CYBMUJFWSA-N 0 0 267.373 1.745 50 70 CDIARN COC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl ZINC000217570516 359074437 /nfs/dbraw/zinc/07/44/37/359074437.db2.gz PTBRPIIAXIDKPX-ZDUSSCGKSA-N 0 0 289.734 1.535 50 70 CDIARN Cc1cc(C)nc(NCC(=O)NCCc2ccccn2)n1 ZINC000218468544 359054409 /nfs/dbraw/zinc/05/44/09/359054409.db2.gz YUAASXFXCKKMDC-UHFFFAOYSA-N 0 0 285.351 1.259 50 70 CDIARN Cc1nonc1CC(=O)N1CCC[C@@H]1c1ccccn1 ZINC000216968916 189707654 /nfs/dbraw/zinc/70/76/54/189707654.db2.gz AKPSDWHLYDZVQA-CYBMUJFWSA-N 0 0 272.308 1.679 50 70 CDIARN C[C@H](Cc1cccnc1)NC(=O)c1cc(Cl)c[nH]c1=O ZINC000217866090 359029633 /nfs/dbraw/zinc/02/96/33/359029633.db2.gz OMMSUEWIYRZYKR-SECBINFHSA-N 0 0 291.738 1.784 50 70 CDIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cn1ccc(=O)cc1 ZINC000218007650 359036766 /nfs/dbraw/zinc/03/67/66/359036766.db2.gz TWFZTQVQXIVHEQ-SECBINFHSA-N 0 0 274.324 1.066 50 70 CDIARN Cn1cncc1CN1CCN(c2cccnc2)CC1 ZINC000217605964 359013465 /nfs/dbraw/zinc/01/34/65/359013465.db2.gz YPCZSDKXESELDB-UHFFFAOYSA-N 0 0 257.341 1.137 50 70 CDIARN COc1cn(CC(=O)Nc2ncc(C)s2)c(C)cc1=O ZINC000218384572 359052529 /nfs/dbraw/zinc/05/25/29/359052529.db2.gz IPNHBCNULINTAM-UHFFFAOYSA-N 0 0 293.348 1.569 50 70 CDIARN Cc1cc(CN(C)C(=O)CSc2nnc(N)s2)on1 ZINC000217082724 189708581 /nfs/dbraw/zinc/70/85/81/189708581.db2.gz QDVHWBMUYWQISG-UHFFFAOYSA-N 0 0 299.381 1.167 50 70 CDIARN O=C(NCCc1ccncc1)[C@H](O)c1ccc(F)cc1 ZINC000217164979 189708641 /nfs/dbraw/zinc/70/86/41/189708641.db2.gz HLKBTYOBUUYDFY-CQSZACIVSA-N 0 0 274.295 1.613 50 70 CDIARN O=C(Cc1c[nH]cn1)NCc1nnc(-c2ccccc2)[nH]1 ZINC000216913358 230396672 /nfs/dbraw/zinc/39/66/72/230396672.db2.gz NUAKHIWXTYJQRM-UHFFFAOYSA-N 0 0 282.307 1.054 50 70 CDIARN Cc1nnc(CN(C)C(=O)c2cncc(Cl)c2)o1 ZINC000218442175 398208883 /nfs/dbraw/zinc/20/88/83/398208883.db2.gz FKFIOJLIVALUAL-UHFFFAOYSA-N 0 0 266.688 1.699 50 70 CDIARN CSCC[C@H](O)C(=O)NCc1cn2ccc(C)cc2n1 ZINC000217738144 359024629 /nfs/dbraw/zinc/02/46/29/359024629.db2.gz PDBGBKSENLGHLK-LBPRGKRZSA-N 0 0 293.392 1.373 50 70 CDIARN Cc1cc(N)n(CC(=O)N(C)Cc2csc(C)n2)n1 ZINC000217946858 359032820 /nfs/dbraw/zinc/03/28/20/359032820.db2.gz DSCFWKUAFQJDCK-UHFFFAOYSA-N 0 0 279.369 1.197 50 70 CDIARN O=C(Cn1cnc2ccccc21)NC[C@@H]1CCCOC1 ZINC000218179411 359045294 /nfs/dbraw/zinc/04/52/94/359045294.db2.gz UWIFQBJRJJVUKW-LBPRGKRZSA-N 0 0 273.336 1.579 50 70 CDIARN Cc1cccc(C(=O)NCc2nnnn2-c2ccccc2)n1 ZINC000217162583 358983052 /nfs/dbraw/zinc/98/30/52/358983052.db2.gz PPWLVCJKVAQNCV-UHFFFAOYSA-N 0 0 294.318 1.296 50 70 CDIARN Cc1nnnn1CCC(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000218230298 359046535 /nfs/dbraw/zinc/04/65/35/359046535.db2.gz CQVFEPLZZSSLML-OLZOCXBDSA-N 0 0 275.356 1.186 50 70 CDIARN Cc1ccc(CCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)o1 ZINC000218236408 359046588 /nfs/dbraw/zinc/04/65/88/359046588.db2.gz USRGRNSFQYCSQT-NSHDSACASA-N 0 0 283.349 1.195 50 70 CDIARN COc1ccc(/C=C/CN2CCn3nc(CO)cc3C2)cc1 ZINC000217182461 358984169 /nfs/dbraw/zinc/98/41/69/358984169.db2.gz ZJJRFJKMKCNDTN-NSCUHMNNSA-N 0 0 299.374 1.913 50 70 CDIARN O=C(CCCc1ccc(Cl)cc1)N[C@@H]1CCOC[C@H]1O ZINC000218551941 359057837 /nfs/dbraw/zinc/05/78/37/359057837.db2.gz GFMAVJWLTCFKEW-ZIAGYGMSSA-N 0 0 297.782 1.929 50 70 CDIARN CC[C@@H](NC(=O)CCCN1CCOCC1)c1nc(C)no1 ZINC000218750159 359064898 /nfs/dbraw/zinc/06/48/98/359064898.db2.gz NMFHTJWLFVRTPR-GFCCVEGCSA-N 0 0 296.371 1.058 50 70 CDIARN Cn1cccc1[C@H](O)CCNC(=O)c1ccsc1 ZINC000217931520 375762858 /nfs/dbraw/zinc/76/28/58/375762858.db2.gz AFGBKIVPERUBSD-GFCCVEGCSA-N 0 0 264.350 1.940 50 70 CDIARN O=C(NCCc1noc(CO)n1)c1ccc2cc[nH]c2c1 ZINC000217739308 359024552 /nfs/dbraw/zinc/02/45/52/359024552.db2.gz WUXCYYFIGOLOMF-UHFFFAOYSA-N 0 0 286.291 1.016 50 70 CDIARN C[C@H](O)c1cc2n(n1)CCCN(c1nnc3ccccn31)C2 ZINC000217187266 358984041 /nfs/dbraw/zinc/98/40/41/358984041.db2.gz JTFBODNQEHTBEX-NSHDSACASA-N 0 0 298.350 1.389 50 70 CDIARN CN(CCC1CCOCC1)C(=O)Cn1ccnc1 ZINC000218370590 359051003 /nfs/dbraw/zinc/05/10/03/359051003.db2.gz ATCAGHMMPKLPFB-UHFFFAOYSA-N 0 0 251.330 1.158 50 70 CDIARN Cc1cc(CC(=O)NCc2ccccc2C[NH+](C)C)on1 ZINC000218476410 359055129 /nfs/dbraw/zinc/05/51/29/359055129.db2.gz GRXCHGFQMRVQAR-UHFFFAOYSA-N 0 0 287.363 1.904 50 70 CDIARN O=C(NCC[C@H](O)c1ccsc1)C(=O)NC1CCCC1 ZINC000217540496 375666357 /nfs/dbraw/zinc/66/63/57/375666357.db2.gz CJNXRDWGFZWIJG-LBPRGKRZSA-N 0 0 296.392 1.347 50 70 CDIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NC(C)C ZINC000218431172 375832556 /nfs/dbraw/zinc/83/25/56/375832556.db2.gz XFLJXESLWUZHQV-CYBMUJFWSA-N 0 0 292.379 1.782 50 70 CDIARN Cc1nnc(CCNC(=O)COC[C@@H]2CCCCO2)s1 ZINC000217102982 358979385 /nfs/dbraw/zinc/97/93/85/358979385.db2.gz JODSVNSENSUAHJ-NSHDSACASA-N 0 0 299.396 1.091 50 70 CDIARN Cc1onc(C(=O)NCc2cnc3ccccc3c2)c1CO ZINC000217110951 358980080 /nfs/dbraw/zinc/98/00/80/358980080.db2.gz YLCDMHYDBVYPHY-UHFFFAOYSA-N 0 0 297.314 1.954 50 70 CDIARN Cc1ncn(CCNC(=O)Cc2ccc(O)c(F)c2)c1C ZINC000217644744 359016183 /nfs/dbraw/zinc/01/61/83/359016183.db2.gz FSPFOSBFSSLBCD-UHFFFAOYSA-N 0 0 291.326 1.704 50 70 CDIARN O=C(Cc1ccc(F)cc1F)NCc1ccncn1 ZINC000218470230 359055481 /nfs/dbraw/zinc/05/54/81/359055481.db2.gz FSMYBQYXDNYISB-UHFFFAOYSA-N 0 0 263.247 1.614 50 70 CDIARN CC(=O)N1CC(Nc2ccc3nsnc3c2)=CC1=O ZINC000218501493 359056496 /nfs/dbraw/zinc/05/64/96/359056496.db2.gz OEZJRTBOBSQYCI-UHFFFAOYSA-N 0 0 274.305 1.376 50 70 CDIARN CC[C@H](NC(=O)C(=O)Nc1ccccc1)c1ccnn1C ZINC000218648247 359061320 /nfs/dbraw/zinc/06/13/20/359061320.db2.gz UPYDENBLDUDYAX-LBPRGKRZSA-N 0 0 286.335 1.626 50 70 CDIARN CC[C@H](Cn1ccnc1)NC(=O)c1ccncc1O ZINC000218286984 359049638 /nfs/dbraw/zinc/04/96/38/359049638.db2.gz SAWKJFBZDOZCRQ-SNVBAGLBSA-N 0 0 260.297 1.192 50 70 CDIARN CSCC[C@H](O)C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000217643787 359016464 /nfs/dbraw/zinc/01/64/64/359016464.db2.gz NDEMWXRSVXEDCX-LBPRGKRZSA-N 0 0 293.392 1.635 50 70 CDIARN C[C@@H](CCNC(=O)Cc1cccnc1)n1ccnc1 ZINC000218469164 359054376 /nfs/dbraw/zinc/05/43/76/359054376.db2.gz LWXLDRKHCPVULU-LBPRGKRZSA-N 0 0 258.325 1.588 50 70 CDIARN Cc1cccc2oc(CNC(=O)CN3CCCC3)nc21 ZINC000218760953 359064363 /nfs/dbraw/zinc/06/43/63/359064363.db2.gz GGBGHPNWZVQQBG-UHFFFAOYSA-N 0 0 273.336 1.848 50 70 CDIARN CC[C@H](NC(=O)c1ccc(O)c(C)c1)C1CC(O)C1 ZINC000218757884 359064523 /nfs/dbraw/zinc/06/45/23/359064523.db2.gz IWMOKHMYYCGYDS-BPCQOVAHSA-N 0 0 263.337 1.980 50 70 CDIARN 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Cc1noc(C)c1CN(C)C(=O)Cc1ccncc1 ZINC000218753048 359064681 /nfs/dbraw/zinc/06/46/81/359064681.db2.gz DKPPATMVBYVJBC-UHFFFAOYSA-N 0 0 259.309 1.888 50 70 CDIARN COc1ccc(O)c(C(=O)N[C@@H](C)c2nnc(C)[nH]2)c1 ZINC000217786810 361598365 /nfs/dbraw/zinc/59/83/65/361598365.db2.gz MEMMCJWLPVQPOG-ZETCQYMHSA-N 0 0 276.296 1.318 50 70 CDIARN Cn1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cn1 ZINC000218255929 365120781 /nfs/dbraw/zinc/12/07/81/365120781.db2.gz MEAKSHCQAHAEKG-VIFPVBQESA-N 0 0 272.260 1.590 50 70 CDIARN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccccc1 ZINC000217601776 375684587 /nfs/dbraw/zinc/68/45/87/375684587.db2.gz IRSSBHLNKKUOIJ-KGLIPLIRSA-N 0 0 291.347 1.408 50 70 CDIARN COC(=O)N[C@H](C)C(=O)NCc1cccc2[nH]ccc21 ZINC000218445431 398208980 /nfs/dbraw/zinc/20/89/80/398208980.db2.gz LZUNLCVHNIYISP-SECBINFHSA-N 0 0 275.308 1.529 50 70 CDIARN Cc1cc(CN(C)C(=O)CN(C)Cc2ccncc2)on1 ZINC000217072612 358978560 /nfs/dbraw/zinc/97/85/60/358978560.db2.gz HUKMLMJBXMRQDZ-UHFFFAOYSA-N 0 0 288.351 1.468 50 70 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COC(=O)CS[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC000217551851 359038319 /nfs/dbraw/zinc/03/83/19/359038319.db2.gz ZCXLDCJOXYKAAV-SNVBAGLBSA-N 0 0 297.351 1.946 50 70 CDIARN CO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(C)cc2)CC1 ZINC000218163075 359044024 /nfs/dbraw/zinc/04/40/24/359044024.db2.gz NVBJNUZZMANLPC-HUUCEWRRSA-N 0 0 289.375 1.947 50 70 CDIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(CC(C)C)n[nH]1 ZINC000218169440 359044985 /nfs/dbraw/zinc/04/49/85/359044985.db2.gz CQCUJTNAQLSDBL-ZWNOBZJWSA-N 0 0 267.373 1.745 50 70 CDIARN CCCO[C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000217419538 359001269 /nfs/dbraw/zinc/00/12/69/359001269.db2.gz HIZWEAQUMIFMRX-NSHDSACASA-N 0 0 251.330 1.749 50 70 CDIARN O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(N2CCCC2)cc1 ZINC000218275175 359048104 /nfs/dbraw/zinc/04/81/04/359048104.db2.gz ZRAAYPLKQLDFAW-HUUCEWRRSA-N 0 0 290.363 1.166 50 70 CDIARN Cc1noc(C)c1C(=O)N1CCO[C@@H](c2cccnc2)C1 ZINC000218351901 359051297 /nfs/dbraw/zinc/05/12/97/359051297.db2.gz ACROASPEWYXPBR-CYBMUJFWSA-N 0 0 287.319 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Cc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3O)cc2c1 ZINC000218187367 359044988 /nfs/dbraw/zinc/04/49/88/359044988.db2.gz XURXWSJFTXVHEE-TZMCWYRMSA-N 0 0 274.320 1.356 50 70 CDIARN CCc1nc(CCNC(=O)Cc2ccc(F)cc2F)no1 ZINC000218336983 359050665 /nfs/dbraw/zinc/05/06/65/359050665.db2.gz VWPLTABKBKEXMF-UHFFFAOYSA-N 0 0 295.289 1.812 50 70 CDIARN COC(=O)CS[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000217550361 358988572 /nfs/dbraw/zinc/98/85/72/358988572.db2.gz SGLDEDRGHWRPLQ-SECBINFHSA-N 0 0 259.371 1.540 50 70 CDIARN Cc1cccc(C(=O)N2CCc3nc(C)[nH]c(=O)c3CC2)n1 ZINC000217604539 359013555 /nfs/dbraw/zinc/01/35/55/359013555.db2.gz RROROXAQDBCZRI-UHFFFAOYSA-N 0 0 298.346 1.023 50 70 CDIARN Cc1ncsc1C(=O)N1CCCn2nc(CO)cc2C1 ZINC000217649669 359016441 /nfs/dbraw/zinc/01/64/41/359016441.db2.gz UZSPOGNCFNALJV-UHFFFAOYSA-N 0 0 292.364 1.186 50 70 CDIARN O=C(N[C@@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12)c1ccn[nH]1 ZINC000218391904 359051818 /nfs/dbraw/zinc/05/18/18/359051818.db2.gz GZSSSCIRSNMWQX-GHYVTOPFSA-N 0 0 275.352 1.733 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CDIARN Cc1c[nH]c(C(=O)NCc2nc(C)c(C)s2)n1 ZINC000217400066 358999183 /nfs/dbraw/zinc/99/91/83/358999183.db2.gz SHQJWIJFUZAGGQ-UHFFFAOYSA-N 0 0 250.327 1.721 50 70 CDIARN Cc1sc(-n2cccc2)nc1C(=O)N[C@H](CO)C(C)C ZINC000218274650 359048746 /nfs/dbraw/zinc/04/87/46/359048746.db2.gz QSGQBBHFPOHOSJ-LLVKDONJSA-N 0 0 293.392 1.989 50 70 CDIARN CC1(CNC(=O)[C@@H]2CCc3ccccc3C2)COC1 ZINC000217017126 361597609 /nfs/dbraw/zinc/59/76/09/361597609.db2.gz ZDLRIGVQDMTFBP-CQSZACIVSA-N 0 0 259.349 1.944 50 70 CDIARN Cc1n[nH]c(C)c1CCNC(=O)[C@@H](O)Cc1ccccc1 ZINC000217198291 189709183 /nfs/dbraw/zinc/70/91/83/189709183.db2.gz HQOJTSYSRZRTIZ-HNNXBMFYSA-N 0 0 287.363 1.289 50 70 CDIARN C[C@H](Cc1cccnc1)NC(=O)c1cccc(=O)[nH]1 ZINC000217025964 358975378 /nfs/dbraw/zinc/97/53/78/358975378.db2.gz JGXSUHVAMJIWIC-SNVBAGLBSA-N 0 0 257.293 1.131 50 70 CDIARN O=C(NCCCc1ncc[nH]1)[C@H](O)c1ccccc1Cl ZINC000218288043 359049255 /nfs/dbraw/zinc/04/92/55/359049255.db2.gz PCHXIGRBDDQRGI-CYBMUJFWSA-N 0 0 293.754 1.846 50 70 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Cn1ccc2ccc(C(=O)N[C@@H]3CCOC[C@H]3O)cc21 ZINC000218665813 359061255 /nfs/dbraw/zinc/06/12/55/359061255.db2.gz LKANUGMRGKMQPP-TZMCWYRMSA-N 0 0 274.320 1.058 50 70 CDIARN Cc1ccn2cc(CNC(=O)C(=O)c3cccn3C)nc2c1 ZINC000216964575 358972764 /nfs/dbraw/zinc/97/27/64/358972764.db2.gz MRWHFGBVZYPZGM-UHFFFAOYSA-N 0 0 296.330 1.480 50 70 CDIARN CSCCC(=O)NC[C@@H](C)Oc1cccnc1 ZINC000218137243 359042963 /nfs/dbraw/zinc/04/29/63/359042963.db2.gz DLBSMNJIXMTHNK-SNVBAGLBSA-N 0 0 254.355 1.718 50 70 CDIARN Cc1cccc(C(=O)NC[C@H](C)Oc2cccnc2)n1 ZINC000218220816 359045807 /nfs/dbraw/zinc/04/58/07/359045807.db2.gz JEVSBVSKOOMWJC-LBPRGKRZSA-N 0 0 271.320 1.982 50 70 CDIARN Cc1ccc(C)n1CC(=O)NCCc1nnc2ccccn21 ZINC000218451274 359054684 /nfs/dbraw/zinc/05/46/84/359054684.db2.gz TZBKYEBWIHNZJW-UHFFFAOYSA-N 0 0 297.362 1.507 50 70 CDIARN Cc1cc(C[C@@H](C)NC(=O)Cn2cnc3ccccc32)[nH]n1 ZINC000218664477 359061522 /nfs/dbraw/zinc/06/15/22/359061522.db2.gz NILYTJRHPIAZRS-LLVKDONJSA-N 0 0 297.362 1.815 50 70 CDIARN CN(Cc1[nH]nc2c1CCC2)C(=O)c1cccn1C ZINC000218745079 359063391 /nfs/dbraw/zinc/06/33/91/359063391.db2.gz UXGZREQRBMIXOY-UHFFFAOYSA-N 0 0 258.325 1.509 50 70 CDIARN O=C(c1cccc(F)c1)N1CC(N2C(=O)CSC2=O)C1 ZINC000217746295 359397755 /nfs/dbraw/zinc/39/77/55/359397755.db2.gz IQPBHUHAJFGUQI-UHFFFAOYSA-N 0 0 294.307 1.346 50 70 CDIARN CCCn1ncnc1[C@@H](C)NC(=O)Cc1cccnc1 ZINC000218235965 189713869 /nfs/dbraw/zinc/71/38/69/189713869.db2.gz PPMFJKKFNRPVNM-LLVKDONJSA-N 0 0 273.340 1.503 50 70 CDIARN COC(=O)CS[C@@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000217564097 375672914 /nfs/dbraw/zinc/67/29/14/375672914.db2.gz YXHXCZWKBDGFQR-GFCCVEGCSA-N 0 0 297.351 1.946 50 70 CDIARN O=C(c1ccoc1)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217786405 392724255 /nfs/dbraw/zinc/72/42/55/392724255.db2.gz ZUTRZUPKIKVBIA-SECBINFHSA-N 0 0 280.305 1.190 50 70 CDIARN [NH3+]C[C@@H]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000218349011 359051535 /nfs/dbraw/zinc/05/15/35/359051535.db2.gz BWKSNOVJHNVKKJ-JTQLQIEISA-N 0 0 268.744 1.395 50 70 CDIARN Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000218582387 359059309 /nfs/dbraw/zinc/05/93/09/359059309.db2.gz KLZKESOUFHETBC-LLVKDONJSA-N 0 0 288.355 1.175 50 70 CDIARN COC(=O)CS[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000217558370 189710603 /nfs/dbraw/zinc/71/06/03/189710603.db2.gz HLYBBBJNOKKHBK-RYUDHWBXSA-N 0 0 283.393 1.850 50 70 CDIARN O=C(NCCn1ccnc1-c1ccccn1)c1ccco1 ZINC000217859960 189712433 /nfs/dbraw/zinc/71/24/33/189712433.db2.gz PZARIVCNTJORBF-UHFFFAOYSA-N 0 0 282.303 1.968 50 70 CDIARN CCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccccc1 ZINC000217991571 189712760 /nfs/dbraw/zinc/71/27/60/189712760.db2.gz XDPQMOMSXOFCLG-HUUCEWRRSA-N 0 0 277.364 1.929 50 70 CDIARN COC(=O)CS[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000217558448 375670760 /nfs/dbraw/zinc/67/07/60/375670760.db2.gz HLYBBBJNOKKHBK-VXGBXAGGSA-N 0 0 283.393 1.850 50 70 CDIARN O=C(c1cccc(=O)[nH]1)N1CCC(c2ccncc2)CC1 ZINC000217850933 398207534 /nfs/dbraw/zinc/20/75/34/398207534.db2.gz VTZGVEHSSHZIEZ-UHFFFAOYSA-N 0 0 283.331 1.790 50 70 CDIARN CSc1ccc(C(=O)N2CCC[C@](O)(CO)CC2)cc1 ZINC000217839061 359028995 /nfs/dbraw/zinc/02/89/95/359028995.db2.gz KTPOSNQMNYTNNE-OAHLLOKOSA-N 0 0 295.404 1.758 50 70 CDIARN C[C@@H](Cc1cccnc1)NC(=O)c1cc(Cl)c[nH]c1=O ZINC000217866014 359029654 /nfs/dbraw/zinc/02/96/54/359029654.db2.gz OMMSUEWIYRZYKR-VIFPVBQESA-N 0 0 291.738 1.784 50 70 CDIARN CC(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3O)c1 ZINC000218573479 359058105 /nfs/dbraw/zinc/05/81/05/359058105.db2.gz IZQKBCRPZVXFTL-FICVDOATSA-N 0 0 273.332 1.732 50 70 CDIARN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(N)n[nH]1 ZINC000218665157 359061504 /nfs/dbraw/zinc/06/15/04/359061504.db2.gz NFXRLQATJBLBCA-GFCCVEGCSA-N 0 0 286.335 1.808 50 70 CDIARN O=C(Cc1ccsc1)N1CCn2nc(CO)cc2C1 ZINC000217211995 189709032 /nfs/dbraw/zinc/70/90/32/189709032.db2.gz XKTDUYZXNKSIDA-UHFFFAOYSA-N 0 0 277.349 1.022 50 70 CDIARN CC(C)(C)OC(=O)N1CC(C(=O)C(F)(F)F)C1 ZINC000218385638 375825620 /nfs/dbraw/zinc/82/56/20/375825620.db2.gz IPUIZEKVOYQPOL-UHFFFAOYSA-N 0 0 253.220 1.985 50 70 CDIARN Cn1cc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cn1 ZINC000217754270 256786506 /nfs/dbraw/zinc/78/65/06/256786506.db2.gz JBHHHOYTCMMFEE-LLVKDONJSA-N 0 0 296.282 1.968 50 70 biogenic CDIARN CCO[C@@H]1COCC[C@H]1NC(=O)c1cncs1 ZINC000218412835 286228731 /nfs/dbraw/zinc/22/87/31/286228731.db2.gz FVHNRVCPEAWJPE-RKDXNWHRSA-N 0 0 256.327 1.067 50 70 CDIARN Cn1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cn1 ZINC000218255990 279349190 /nfs/dbraw/zinc/34/91/90/279349190.db2.gz MEAKSHCQAHAEKG-SECBINFHSA-N 0 0 272.260 1.590 50 70 CDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2C(C)C ZINC000217909142 279630576 /nfs/dbraw/zinc/63/05/76/279630576.db2.gz HKRZOIOQTDAPTL-QMMMGPOBSA-N 0 0 279.292 1.600 50 70 biogenic CDIARN C[C@@H]1CN(c2ccccc2)CCN1C(=O)Cc1cnccn1 ZINC000217700945 136583139 /nfs/dbraw/zinc/58/31/39/136583139.db2.gz WXAWCKAMRYIUGS-CQSZACIVSA-N 0 0 296.374 1.756 50 70 CDIARN c1ccc([SiH](c2ccccc2)c2ccccc2)cc1 ZINC000169746202 188662921 /nfs/dbraw/zinc/66/29/21/188662921.db2.gz AKQNYQDSIDKVJZ-UHFFFAOYSA-N 0 0 260.412 1.935 50 70 CDIARN C[C@H]1CN(c2ccccc2)CCN1C(=O)Cc1cnccn1 ZINC000217701040 359020949 /nfs/dbraw/zinc/02/09/49/359020949.db2.gz WXAWCKAMRYIUGS-AWEZNQCLSA-N 0 0 296.374 1.756 50 70 CDIARN CCS[C@H](C)C(=O)NCCc1nnc(C)s1 ZINC000218292695 359049502 /nfs/dbraw/zinc/04/95/02/359049502.db2.gz UQRDDNSNCBZRCR-SSDOTTSWSA-N 0 0 259.400 1.647 50 70 CDIARN COC[C@H]1CCN(C(=O)C2(Cn3ccnc3)CC2)C1 ZINC000218181670 359045160 /nfs/dbraw/zinc/04/51/60/359045160.db2.gz JPKOGUNKNPVRAJ-LBPRGKRZSA-N 0 0 263.341 1.158 50 70 CDIARN COC(=O)[C@@H](C)NC(=O)c1sc(-n2cccc2)nc1C ZINC000218391588 359052276 /nfs/dbraw/zinc/05/22/76/359052276.db2.gz KTEMLTFYEQYBSD-SECBINFHSA-N 0 0 293.348 1.534 50 70 CDIARN CC(C)[C@@H](O)C1CCN(C(=O)c2cccc(N)n2)CC1 ZINC000217988037 359034553 /nfs/dbraw/zinc/03/45/53/359034553.db2.gz HWRIKUNFZDMBSK-CQSZACIVSA-N 0 0 277.368 1.533 50 70 CDIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2ncccc2c1 ZINC000218221205 359045991 /nfs/dbraw/zinc/04/59/91/359045991.db2.gz LQRVMIRACOQLLI-LBPRGKRZSA-N 0 0 296.330 1.567 50 70 CDIARN CC1(CNC(=O)[C@@H](O)c2cccc(F)c2)COC1 ZINC000217422932 359000886 /nfs/dbraw/zinc/00/08/86/359000886.db2.gz MVKWTVDDCFSXKF-NSHDSACASA-N 0 0 253.273 1.012 50 70 CDIARN COc1ccc([C@H](O)C(=O)NCc2c(C)n[nH]c2C)cc1 ZINC000217471654 359004324 /nfs/dbraw/zinc/00/43/24/359004324.db2.gz ZWHFWSPUKIVDCI-AWEZNQCLSA-N 0 0 289.335 1.385 50 70 CDIARN Cc1cc(C(=O)NCCc2nc(C)cc(=O)[nH]2)c(C)o1 ZINC000218391131 359051885 /nfs/dbraw/zinc/05/18/85/359051885.db2.gz SCNGNBWSOOIQLY-UHFFFAOYSA-N 0 0 275.308 1.261 50 70 CDIARN O=C(CCC1=NNC(=O)CC1)N[C@H]1CCc2ccccc2C1 ZINC000218687373 359062315 /nfs/dbraw/zinc/06/23/15/359062315.db2.gz VZXMIKPZMONBOT-HNNXBMFYSA-N 0 0 299.374 1.706 50 70 CDIARN O=C(CCC(F)(F)F)NCCc1noc(C2CC2)n1 ZINC000218770146 359064490 /nfs/dbraw/zinc/06/44/90/359064490.db2.gz BSKFWLYIGRHZAD-UHFFFAOYSA-N 0 0 277.246 1.948 50 70 CDIARN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(OC)c1 ZINC000217602187 375684922 /nfs/dbraw/zinc/68/49/22/375684922.db2.gz CZBQHBPZUBGBNM-STQMWFEESA-N 0 0 293.319 1.098 50 70 CDIARN O=C(Cc1cnc[nH]1)N1CCC[C@@H]1c1ccccn1 ZINC000217066936 358978634 /nfs/dbraw/zinc/97/86/34/358978634.db2.gz BOFVJRGDIWEKFK-CYBMUJFWSA-N 0 0 256.309 1.711 50 70 CDIARN O=C(NCc1ccco1)N1CCCn2nc(CO)cc2C1 ZINC000217706967 359021744 /nfs/dbraw/zinc/02/17/44/359021744.db2.gz QEYXGJCRCOVXKS-UHFFFAOYSA-N 0 0 290.323 1.084 50 70 CDIARN C[C@H](c1ccncn1)N(C)C(=O)Cc1ccccn1 ZINC000217725028 359023529 /nfs/dbraw/zinc/02/35/29/359023529.db2.gz IRVMMCBZYHQAKI-LLVKDONJSA-N 0 0 256.309 1.634 50 70 CDIARN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000218292163 359049151 /nfs/dbraw/zinc/04/91/51/359049151.db2.gz RYNWQHNJSNXTGI-CYBMUJFWSA-N 0 0 299.378 1.686 50 70 CDIARN O=C(Cc1ccc(O)c(F)c1)NCCc1cn[nH]c1 ZINC000217168508 358983063 /nfs/dbraw/zinc/98/30/63/358983063.db2.gz LVCVYBYZQUYCLF-UHFFFAOYSA-N 0 0 263.272 1.156 50 70 CDIARN COC(=O)CCNC(=O)c1ccc2ccn(C)c2c1 ZINC000218272858 359048702 /nfs/dbraw/zinc/04/87/02/359048702.db2.gz SLBHGJBBNUPTGT-UHFFFAOYSA-N 0 0 260.293 1.471 50 70 CDIARN O=C(CN1Cc2ccccc2C1=O)NCCc1ccccn1 ZINC000218616526 359059218 /nfs/dbraw/zinc/05/92/18/359059218.db2.gz XLNUBJITOKAARU-UHFFFAOYSA-N 0 0 295.342 1.396 50 70 CDIARN CC(=O)Nc1cccc(C(=O)NCCc2nccn2C)c1 ZINC000218711669 359062232 /nfs/dbraw/zinc/06/22/32/359062232.db2.gz HGHOEERLBCBCOB-UHFFFAOYSA-N 0 0 286.335 1.351 50 70 CDIARN CCCn1ncnc1[C@@H](C)NC(=O)c1ncccc1O ZINC000218721193 359063211 /nfs/dbraw/zinc/06/32/11/359063211.db2.gz OLQJYIMDPKIYSJ-SECBINFHSA-N 0 0 275.312 1.280 50 70 CDIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cccnc1 ZINC000218220152 364983273 /nfs/dbraw/zinc/98/32/73/364983273.db2.gz GWVPZTAXQXFNTP-UHFFFAOYSA-N 0 0 286.335 1.957 50 70 CDIARN COc1ccc(CNC(=O)[C@H]2CC(=O)OC2(C)C)cc1 ZINC000218033441 372091252 /nfs/dbraw/zinc/09/12/52/372091252.db2.gz OBHQRQUDIVRVHD-GFCCVEGCSA-N 0 0 277.320 1.653 50 70 biogenic CDIARN COC(=O)CS[C@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC000217563533 375672669 /nfs/dbraw/zinc/67/26/69/375672669.db2.gz ILAIHKRWZXPTQU-JTQLQIEISA-N 0 0 298.364 1.412 50 70 CDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2C(C)C ZINC000217909065 391925454 /nfs/dbraw/zinc/92/54/54/391925454.db2.gz HKRZOIOQTDAPTL-MRVPVSSYSA-N 0 0 279.292 1.600 50 70 biogenic CDIARN CCOCCC(=O)N1CCC(c2ccnc(C)n2)CC1 ZINC000218586439 276452472 /nfs/dbraw/zinc/45/24/72/276452472.db2.gz QINPZHDGLHHWGW-UHFFFAOYSA-N 0 0 277.368 1.918 50 70 CDIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccnc2ccccc21 ZINC000218411324 398208130 /nfs/dbraw/zinc/20/81/30/398208130.db2.gz OTMCUYYCIUHAFX-LBPRGKRZSA-N 0 0 296.330 1.567 50 70 CDIARN CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(C)c1 ZINC000218133760 359043040 /nfs/dbraw/zinc/04/30/40/359043040.db2.gz HALGYLKIRYKXOJ-ZIAGYGMSSA-N 0 0 263.337 1.919 50 70 CDIARN CCCc1cc(CN(C)C(=O)[C@@H](O)C(C)C)[nH]n1 ZINC000217405822 358999604 /nfs/dbraw/zinc/99/96/04/358999604.db2.gz CUIVTWGWYGSFRX-LBPRGKRZSA-N 0 0 253.346 1.338 50 70 CDIARN CC[C@@H](C)[C@@H](CO)NC(=O)CCCn1cccn1 ZINC000218258344 359047524 /nfs/dbraw/zinc/04/75/24/359047524.db2.gz AIVDOAIFJVXCFF-VXGBXAGGSA-N 0 0 253.346 1.187 50 70 CDIARN Cc1ccc2ncccc2c1CNC(=O)[C@@H]1CCC(=O)N1 ZINC000217596970 359012842 /nfs/dbraw/zinc/01/28/42/359012842.db2.gz RFXVYAKSKWEJCX-AWEZNQCLSA-N 0 0 283.331 1.438 50 70 CDIARN C[C@@H](C(=O)N(C)Cc1ncc[nH]1)c1ccc(O)cc1 ZINC000217687832 359018953 /nfs/dbraw/zinc/01/89/53/359018953.db2.gz LTANMSRDMKCZLG-SNVBAGLBSA-N 0 0 259.309 1.877 50 70 CDIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000218354413 359051162 /nfs/dbraw/zinc/05/11/62/359051162.db2.gz NRRKZKMFXALGSL-QMTHXVAHSA-N 0 0 288.351 1.609 50 70 CDIARN COC(=O)N[C@H](C)C(=O)NCc1cnc(C)cc1C ZINC000218386226 359052266 /nfs/dbraw/zinc/05/22/66/359052266.db2.gz OUQUSAHROGQUEA-SNVBAGLBSA-N 0 0 265.313 1.059 50 70 CDIARN COCC1(CNC(=O)c2c[nH]c(=O)cn2)CCCC1 ZINC000218540840 359057137 /nfs/dbraw/zinc/05/71/37/359057137.db2.gz HWCCOHNKPUUWCB-UHFFFAOYSA-N 0 0 265.313 1.119 50 70 CDIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(O)cc2)o1 ZINC000217674007 374187287 /nfs/dbraw/zinc/18/72/87/374187287.db2.gz SASMLWXPYIYURN-LLVKDONJSA-N 0 0 289.287 1.367 50 70 biogenic CDIARN CC[C@@H](C)[C@@H](CO)NC(=O)CCc1cc(OC)no1 ZINC000217805712 375738583 /nfs/dbraw/zinc/73/85/83/375738583.db2.gz YXDVDNYLPRHKFJ-MWLCHTKSSA-N 0 0 270.329 1.139 50 70 biogenic CDIARN O=C(C1CCC1)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217780551 392485792 /nfs/dbraw/zinc/48/57/92/392485792.db2.gz QMSVUSHSOOQWRX-SECBINFHSA-N 0 0 268.338 1.083 50 70 CDIARN CC[C@@H](Cn1ccnc1)NC(=O)c1c(C)cc(C)[nH]c1=O ZINC000217927819 359032736 /nfs/dbraw/zinc/03/27/36/359032736.db2.gz KVOCHSBGMKBJSW-LBPRGKRZSA-N 0 0 288.351 1.397 50 70 CDIARN COCc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cn1 ZINC000217936353 359032906 /nfs/dbraw/zinc/03/29/06/359032906.db2.gz WNKNOZHJOQHLRI-NHAGDIPZSA-N 0 0 277.368 1.480 50 70 CDIARN COc1ccnc(C(=O)N[C@@H](C)c2nnc(C)[nH]2)c1 ZINC000217996099 359035795 /nfs/dbraw/zinc/03/57/95/359035795.db2.gz LLHORNVQDJWCRY-ZETCQYMHSA-N 0 0 261.285 1.008 50 70 CDIARN O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000218143068 359043180 /nfs/dbraw/zinc/04/31/80/359043180.db2.gz GAHLLZKCGVDJJZ-ILXRZTDVSA-N 0 0 283.331 1.780 50 70 CDIARN CCCN(C[C@H]1CCCO1)C(=O)c1cc(C)[nH]c(=O)c1 ZINC000217421166 359001031 /nfs/dbraw/zinc/00/10/31/359001031.db2.gz LJCGESLARWXXIC-CYBMUJFWSA-N 0 0 278.352 1.715 50 70 CDIARN Cc1c[nH]c(C(=O)N(C)CCC2CCOCC2)n1 ZINC000217612275 359013540 /nfs/dbraw/zinc/01/35/40/359013540.db2.gz IMSQNCFIRDKWIY-UHFFFAOYSA-N 0 0 251.330 1.607 50 70 CDIARN CCOCCC(=O)N[C@@H](C)c1nnc(C(C)C)o1 ZINC000218654070 359061088 /nfs/dbraw/zinc/06/10/88/359061088.db2.gz XRFUHIJGLUQLGR-VIFPVBQESA-N 0 0 255.318 1.797 50 70 CDIARN CC[C@@H](NC(=O)c1ccc(C)c(O)c1)C1CC(O)C1 ZINC000218652215 359061538 /nfs/dbraw/zinc/06/15/38/359061538.db2.gz NTWHPGNFQXYVSG-WXRRBKDZSA-N 0 0 263.337 1.980 50 70 CDIARN CC(C)c1nc(CNC(=O)c2cc(N)n[nH]2)cs1 ZINC000218701200 359062504 /nfs/dbraw/zinc/06/25/04/359062504.db2.gz NELPCWWDYJFGOQ-UHFFFAOYSA-N 0 0 265.342 1.502 50 70 CDIARN COc1ccc(CC(=O)N(C)Cc2cc[nH]n2)c(OC)c1 ZINC000216909747 361597491 /nfs/dbraw/zinc/59/74/91/361597491.db2.gz MRMYSKZKCGNVKC-UHFFFAOYSA-N 0 0 289.335 1.628 50 70 CDIARN COC(=O)CS[C@H]1CCN(C(=O)C2CCC2)C1 ZINC000217550168 189710119 /nfs/dbraw/zinc/71/01/19/189710119.db2.gz AHXZTWAQWYXRJG-JTQLQIEISA-N 0 0 257.355 1.294 50 70 CDIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccncc2)o1 ZINC000217663599 375699352 /nfs/dbraw/zinc/69/93/52/375699352.db2.gz MHVWWFHGRIEVIX-JTQLQIEISA-N 0 0 274.276 1.056 50 70 biogenic CDIARN C[C@@H](O)c1cc2n(n1)CCN(CCc1cscn1)C2 ZINC000217113432 358980233 /nfs/dbraw/zinc/98/02/33/358980233.db2.gz SBKNOVFVRWBGLJ-SNVBAGLBSA-N 0 0 278.381 1.451 50 70 CDIARN O=C(CCc1ccc(O)cc1)N1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000217146836 358982252 /nfs/dbraw/zinc/98/22/52/358982252.db2.gz VIYIJGBORQIDAW-VIKVFOODSA-N 0 0 275.348 1.554 50 70 CDIARN Cc1ncccc1CN1CCn2nc(CO)cc2C1 ZINC000217858555 391029976 /nfs/dbraw/zinc/02/99/76/391029976.db2.gz PSIDJUCHNSFRDO-UHFFFAOYSA-N 0 0 258.325 1.095 50 70 CDIARN Nc1cc(=O)n(C(=O)c2ccc(F)c(F)c2F)o1 ZINC000216629876 358953819 /nfs/dbraw/zinc/95/38/19/358953819.db2.gz HUDGRUOCZMRMOU-UHFFFAOYSA-N 0 0 258.155 1.129 50 70 CDIARN C[C@H](NC(=O)COCC(F)(F)C(F)F)c1cnn(C)c1 ZINC000217713916 359022033 /nfs/dbraw/zinc/02/20/33/359022033.db2.gz OKADTLUSUNYMAU-ZETCQYMHSA-N 0 0 297.252 1.514 50 70 CDIARN Cc1ccc(O)c(CN2CCn3nc([C@H](C)O)cc3C2)n1 ZINC000217919999 359031439 /nfs/dbraw/zinc/03/14/39/359031439.db2.gz FHERBPBMJVMOPH-NSHDSACASA-N 0 0 288.351 1.361 50 70 CDIARN CSCC[C@@H](CO)NC(=O)c1cc(CCC(C)C)n[nH]1 ZINC000218242903 359046591 /nfs/dbraw/zinc/04/65/91/359046591.db2.gz FDPJIYLWICEWOI-LBPRGKRZSA-N 0 0 299.440 1.842 50 70 CDIARN Cc1ncsc1CCNC(=O)c1cc(C)[nH]c(=O)c1 ZINC000217205556 358985124 /nfs/dbraw/zinc/98/51/24/358985124.db2.gz MLMNDLCXSMXLLT-UHFFFAOYSA-N 0 0 277.349 1.421 50 70 CDIARN CN(CC1(CO)CCCC1)C(=O)CCCn1cncn1 ZINC000218260111 359047243 /nfs/dbraw/zinc/04/72/43/359047243.db2.gz ZLSLGLNGFPBFEX-UHFFFAOYSA-N 0 0 280.372 1.069 50 70 CDIARN CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2O)cs1 ZINC000218462745 359054246 /nfs/dbraw/zinc/05/42/46/359054246.db2.gz GRKZBPYJDDQAQM-GHMZBOCLSA-N 0 0 269.366 1.751 50 70 CDIARN CC[C@H](NC(=O)c1ccc(C)c(O)c1)C1CC(O)C1 ZINC000218652291 359061450 /nfs/dbraw/zinc/06/14/50/359061450.db2.gz NTWHPGNFQXYVSG-BPCQOVAHSA-N 0 0 263.337 1.980 50 70 CDIARN CN(C[C@@H]1CC(=O)N(C)C1)C(=O)c1sccc1Cl ZINC000217080549 189708788 /nfs/dbraw/zinc/70/87/88/189708788.db2.gz ZZQKWIQJVVSZPX-MRVPVSSYSA-N 0 0 286.784 1.952 50 70 CDIARN Cc1n[nH]c(C)c1CCN(C)C(=O)c1cccn1C ZINC000217165555 189708808 /nfs/dbraw/zinc/70/88/08/189708808.db2.gz MYXKAHMFMHAIBL-UHFFFAOYSA-N 0 0 260.341 1.680 50 70 CDIARN Cc1noc(-c2ccsc2NC(=O)c2cn(C)nn2)n1 ZINC000217649836 189710562 /nfs/dbraw/zinc/71/05/62/189710562.db2.gz SZBVGKFYWNHYLG-UHFFFAOYSA-N 0 0 290.308 1.487 50 70 CDIARN COCc1nc(CNC(=O)c2ccc(C(C)=O)s2)no1 ZINC000217997031 189713113 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ZINC000217201774 358984578 /nfs/dbraw/zinc/98/45/78/358984578.db2.gz FLOYISCBJRIPFH-OAHLLOKOSA-N 0 0 282.347 1.606 50 70 CDIARN CSc1ncccc1C(=O)NCc1cnc2cnccn12 ZINC000217214741 358985504 /nfs/dbraw/zinc/98/55/04/358985504.db2.gz ZAMZKHQXWMBZNZ-UHFFFAOYSA-N 0 0 299.359 1.776 50 70 CDIARN COCC[C@@H]1CN(C(=O)Cc2cccc(O)c2)CCO1 ZINC000218536815 359057084 /nfs/dbraw/zinc/05/70/84/359057084.db2.gz AIYPRRMRRJGNJX-CQSZACIVSA-N 0 0 279.336 1.199 50 70 CDIARN Cc1c[nH]c(C(=O)N2CCN(c3cccnc3)CC2)n1 ZINC000218535241 359057407 /nfs/dbraw/zinc/05/74/07/359057407.db2.gz XYTMVHDJOAWRLK-UHFFFAOYSA-N 0 0 271.324 1.076 50 70 CDIARN COc1ccnc(C(=O)N[C@H](C)c2nnc(C)[nH]2)c1 ZINC000217996188 359035373 /nfs/dbraw/zinc/03/53/73/359035373.db2.gz LLHORNVQDJWCRY-SSDOTTSWSA-N 0 0 261.285 1.008 50 70 CDIARN COCC1(CNC(=O)Cn2ccnc2)CCCC1 ZINC000218144685 359044526 /nfs/dbraw/zinc/04/45/26/359044526.db2.gz BURBAGJYMREKNB-UHFFFAOYSA-N 0 0 251.330 1.206 50 70 CDIARN CCCc1cnc(C)nc1C[C@H]1CC(=O)N(CCOC)C1 ZINC000218267436 359048530 /nfs/dbraw/zinc/04/85/30/359048530.db2.gz PWQKTLALBXZNFE-ZDUSSCGKSA-N 0 0 291.395 1.775 50 70 CDIARN O=C(Cn1cc(-c2ccccc2)ncc1=O)NC1CC1 ZINC000218354009 359051355 /nfs/dbraw/zinc/05/13/55/359051355.db2.gz WNEODLQIHIYDMC-UHFFFAOYSA-N 0 0 269.304 1.189 50 70 CDIARN CS(=O)(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217891652 375757578 /nfs/dbraw/zinc/75/75/78/375757578.db2.gz CHXNJNNDHXWBMZ-UHFFFAOYSA-N 0 0 271.367 1.161 50 70 CDIARN C[C@@H](NC(=O)COCC(F)(F)C(F)F)c1cnn(C)c1 ZINC000217713836 359022075 /nfs/dbraw/zinc/02/20/75/359022075.db2.gz OKADTLUSUNYMAU-SSDOTTSWSA-N 0 0 297.252 1.514 50 70 CDIARN O=C(c1cc[nH]n1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000217930932 359032692 /nfs/dbraw/zinc/03/26/92/359032692.db2.gz OEDRUAAHROSSHS-NSHDSACASA-N 0 0 259.313 1.159 50 70 CDIARN CC[C@H](Cn1ccnc1)NC(=O)c1nn(C)c2ccccc21 ZINC000218255834 359047207 /nfs/dbraw/zinc/04/72/07/359047207.db2.gz ACPYQVZKCJQHMN-GFCCVEGCSA-N 0 0 297.362 1.978 50 70 CDIARN O=S(=O)(NCC[C@@H](O)c1ccsc1)c1cccnc1 ZINC000217534931 189710535 /nfs/dbraw/zinc/71/05/35/189710535.db2.gz RMOPUHBZMDRYLX-GFCCVEGCSA-N 0 0 298.389 1.545 50 70 CDIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccncc2)o1 ZINC000217663511 189710812 /nfs/dbraw/zinc/71/08/12/189710812.db2.gz MHVWWFHGRIEVIX-SNVBAGLBSA-N 0 0 274.276 1.056 50 70 biogenic CDIARN O=C(NCc1ccc(-n2cncn2)cc1)C(=O)c1ccco1 ZINC000216915976 130758684 /nfs/dbraw/zinc/75/86/84/130758684.db2.gz BDABYNQYQGOMMH-UHFFFAOYSA-N 0 0 296.286 1.359 50 70 CDIARN CC(C)c1cc(CN(C)C(=O)[C@H]2CCCO2)on1 ZINC000218094155 359040117 /nfs/dbraw/zinc/04/01/17/359040117.db2.gz BYSIBTDSZPAHGL-GFCCVEGCSA-N 0 0 252.314 1.935 50 70 CDIARN O=C(N[C@@H]1CCCNC1=O)c1ccc(N2CCCC2)cc1 ZINC000218467090 359054470 /nfs/dbraw/zinc/05/44/70/359054470.db2.gz XKIFRGBFGFRPOU-CQSZACIVSA-N 0 0 287.363 1.295 50 70 CDIARN OCc1cc2n(n1)CCCN(C1CSCCSC1)C2 ZINC000218513131 359056323 /nfs/dbraw/zinc/05/63/23/359056323.db2.gz CXBFROYKRZMNFE-UHFFFAOYSA-N 0 0 299.465 1.430 50 70 CDIARN COc1ccc(C(=O)NCCc2scnc2C)cn1 ZINC000218531642 359057182 /nfs/dbraw/zinc/05/71/82/359057182.db2.gz FHKWXDSMXXACPV-UHFFFAOYSA-N 0 0 277.349 1.828 50 70 CDIARN CCn1nc(C)c([C@H](C)NC(=O)CN2CCOCC2)c1C ZINC000218293668 189714430 /nfs/dbraw/zinc/71/44/30/189714430.db2.gz CWORJCVHJCRLKE-NSHDSACASA-N 0 0 294.399 1.029 50 70 CDIARN Cc1nn(C)c(C)c1[C@H]1CC(=O)Oc2cc(C)[nH]c(=O)c21 ZINC000218273483 302774524 /nfs/dbraw/zinc/77/45/24/302774524.db2.gz KLHNNJJNDKCVKN-SNVBAGLBSA-N 0 0 287.319 1.475 50 70 CDIARN CSc1ncc(C(=O)N[C@@H](C)Cc2ccccn2)cn1 ZINC000218079679 359039274 /nfs/dbraw/zinc/03/92/74/359039274.db2.gz BHWLGUGZCRSMAY-JTQLQIEISA-N 0 0 288.376 1.955 50 70 CDIARN CCc1ccc(C(=O)NCc2ccc(C(=O)NC)o2)[nH]1 ZINC000218101427 359039750 /nfs/dbraw/zinc/03/97/50/359039750.db2.gz KEHGWRJKZWGFQQ-UHFFFAOYSA-N 0 0 275.308 1.460 50 70 CDIARN CN(Cc1cnccn1)C(=O)[C@@H](O)c1ccc(F)cc1 ZINC000217177513 358983572 /nfs/dbraw/zinc/98/35/72/358983572.db2.gz LYJMTZYZCNQOMV-ZDUSSCGKSA-N 0 0 275.283 1.308 50 70 CDIARN Cc1ncsc1CCNC(=O)c1[nH]nc(N)c1Cl ZINC000217598995 359012753 /nfs/dbraw/zinc/01/27/53/359012753.db2.gz QFWCNWNAOCVTRO-UHFFFAOYSA-N 0 0 285.760 1.383 50 70 CDIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccnn1C)CC(=O)O2 ZINC000218127512 483013300 /nfs/dbraw/zinc/01/33/00/483013300.db2.gz RZGGRUAJJXMUIL-SNVBAGLBSA-N 0 0 286.287 1.769 50 70 CDIARN Cn1cccc1C(=O)NCc1nc(-c2ccccn2)no1 ZINC000218397947 398208416 /nfs/dbraw/zinc/20/84/16/398208416.db2.gz CVTLUGHMHVZGOO-UHFFFAOYSA-N 0 0 283.291 1.400 50 70 CDIARN CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000218138464 359042955 /nfs/dbraw/zinc/04/29/55/359042955.db2.gz KAIVNLFDYZIECY-CYBMUJFWSA-N 0 0 274.324 1.218 50 70 CDIARN O=C(Cn1cnc2ccccc21)NC[C@H]1CCCOC1 ZINC000218179484 359045495 /nfs/dbraw/zinc/04/54/95/359045495.db2.gz UWIFQBJRJJVUKW-GFCCVEGCSA-N 0 0 273.336 1.579 50 70 CDIARN CSCC[C@H](O)C(=O)NCc1cc(CC(C)C)no1 ZINC000218742813 359063937 /nfs/dbraw/zinc/06/39/37/359063937.db2.gz CQVRODXWZKSODR-LBPRGKRZSA-N 0 0 286.397 1.603 50 70 CDIARN COCCn1cncc1CNC(=O)c1cc(C)oc1C ZINC000218761620 359064842 /nfs/dbraw/zinc/06/48/42/359064842.db2.gz AAONSMHCJPCOCA-UHFFFAOYSA-N 0 0 277.324 1.669 50 70 CDIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NC(C)C ZINC000218431095 375832498 /nfs/dbraw/zinc/83/24/98/375832498.db2.gz XFLJXESLWUZHQV-ZDUSSCGKSA-N 0 0 292.379 1.782 50 70 CDIARN COC[C@H]1[C@@H](NC(=O)c2cc(C)ccc2O)[C@@H]2CCO[C@H]12 ZINC000218775440 359065944 /nfs/dbraw/zinc/06/59/44/359065944.db2.gz SSFTWAXGSIOOEV-LVGORTOPSA-N 0 0 291.347 1.480 50 70 CDIARN O=C(N[C@@H]1CCOC[C@H]1O)C1(c2ccccc2F)CC1 ZINC000218435421 359053763 /nfs/dbraw/zinc/05/37/63/359053763.db2.gz LQWHQENTOFCGQJ-CHWSQXEVSA-N 0 0 279.311 1.123 50 70 CDIARN O=C(CCCc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1O ZINC000218547582 359057241 /nfs/dbraw/zinc/05/72/41/359057241.db2.gz XHULDJYOOXKKAN-ZIAGYGMSSA-N 0 0 281.327 1.414 50 70 CDIARN CSCC[C@@H](O)C(=O)NCc1cc(CC(C)C)no1 ZINC000218742756 359063849 /nfs/dbraw/zinc/06/38/49/359063849.db2.gz CQVRODXWZKSODR-GFCCVEGCSA-N 0 0 286.397 1.603 50 70 CDIARN Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000217812232 292000851 /nfs/dbraw/zinc/00/08/51/292000851.db2.gz MZZJZPVPEXSURS-NSHDSACASA-N 0 0 271.272 1.830 50 70 biogenic CDIARN CCc1nnc(CNC(=O)c2ccc[nH]c2=O)s1 ZINC000218415797 398208170 /nfs/dbraw/zinc/20/81/70/398208170.db2.gz RORPBPLNMZJJTG-UHFFFAOYSA-N 0 0 264.310 1.131 50 70 CDIARN O=C(Cn1cccc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218226894 348744633 /nfs/dbraw/zinc/74/46/33/348744633.db2.gz WZXIMACYKQRPGO-UHFFFAOYSA-N 0 0 288.351 1.750 50 70 CDIARN O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc[nH]1 ZINC000218350428 359051584 /nfs/dbraw/zinc/05/15/84/359051584.db2.gz ZCJCUWSVXQMTPP-LBPRGKRZSA-N 0 0 283.331 1.798 50 70 CDIARN Cc1c[nH]c(CNC(=O)CN2CCCC2)c(C)c1=O ZINC000218652627 359061334 /nfs/dbraw/zinc/06/13/34/359061334.db2.gz ATGFECXSGSCZGV-UHFFFAOYSA-N 0 0 263.341 1.116 50 70 CDIARN COC(=O)C[C@@H](c1c(O)c(C(=O)OC)c[nH]c1=O)C(C)C ZINC000218037433 391929490 /nfs/dbraw/zinc/92/94/90/391929490.db2.gz UOLFYGFZPBXVDZ-MRVPVSSYSA-N 0 0 297.307 1.170 50 70 biogenic CDIARN COc1cc(N[C@@H]2C[C@@H]3OCC[C@H]23)nc(OC)n1 ZINC000216953556 358971855 /nfs/dbraw/zinc/97/18/55/358971855.db2.gz QBRPDSNSHOCENT-HLTSFMKQSA-N 0 0 251.286 1.083 50 70 CDIARN Cc1cc(CC(=O)N(C)Cc2[nH]nc3c2CCC3)on1 ZINC000218290937 359049723 /nfs/dbraw/zinc/04/97/23/359049723.db2.gz UHKGLTOBIIICEL-UHFFFAOYSA-N 0 0 274.324 1.396 50 70 CDIARN Cc1ccc2oc(N3CCn4nc(CO)cc4C3)nc2c1 ZINC000217151871 358982342 /nfs/dbraw/zinc/98/23/42/358982342.db2.gz XOZDZQYLIAGNHQ-UHFFFAOYSA-N 0 0 284.319 1.845 50 70 CDIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc2n[nH]nc2c1 ZINC000217172076 358983587 /nfs/dbraw/zinc/98/35/87/358983587.db2.gz ADGLSZPQEWXFQR-SSDOTTSWSA-N 0 0 284.323 1.789 50 70 CDIARN CN(C[C@H]1COCCO1)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000217207792 358985293 /nfs/dbraw/zinc/98/52/93/358985293.db2.gz DMZGTIJDBFNORJ-NSHDSACASA-N 0 0 299.754 1.462 50 70 CDIARN CC[C@H](O)c1cc2n(n1)CCN(c1nccnc1OC)C2 ZINC000218260550 359047118 /nfs/dbraw/zinc/04/71/18/359047118.db2.gz KJASIZOEUIUKTA-LBPRGKRZSA-N 0 0 289.339 1.145 50 70 CDIARN Cc1cc(C)nc(NCC(=O)NCCc2ccncc2)n1 ZINC000218273086 359048289 /nfs/dbraw/zinc/04/82/89/359048289.db2.gz UKRNPYMUBHCJQZ-UHFFFAOYSA-N 0 0 285.351 1.259 50 70 CDIARN COC[C@H]1CCN(C(=O)c2cc(C)n(C)c2C)C1 ZINC000218364450 359051361 /nfs/dbraw/zinc/05/13/61/359051361.db2.gz YSKAKLIOZPBSHW-LBPRGKRZSA-N 0 0 250.342 1.750 50 70 CDIARN CC1(CNC(=O)[C@H](O)c2cccc(F)c2)COC1 ZINC000217423002 189709567 /nfs/dbraw/zinc/70/95/67/189709567.db2.gz MVKWTVDDCFSXKF-LLVKDONJSA-N 0 0 253.273 1.012 50 70 CDIARN Cc1nnc(CNC(=O)CCC(=O)N2CCCCCC2)o1 ZINC000217595387 189711161 /nfs/dbraw/zinc/71/11/61/189711161.db2.gz RUYYHUVEWHVDNA-UHFFFAOYSA-N 0 0 294.355 1.177 50 70 CDIARN CN(CC(=O)NCC[C@H]1CCCCO1)Cc1ccncc1 ZINC000217046937 358977166 /nfs/dbraw/zinc/97/71/66/358977166.db2.gz QBALKJMGAFHRAV-OAHLLOKOSA-N 0 0 291.395 1.589 50 70 CDIARN CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000218292248 359049526 /nfs/dbraw/zinc/04/95/26/359049526.db2.gz RYNWQHNJSNXTGI-ZDUSSCGKSA-N 0 0 299.378 1.686 50 70 CDIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ncoc1C ZINC000218063797 359038091 /nfs/dbraw/zinc/03/80/91/359038091.db2.gz KBXXGYFTPTZWAS-OLZOCXBDSA-N 0 0 294.351 1.853 50 70 CDIARN Cc1cc(CC(=O)NCc2nnc(-c3ccncc3)[nH]2)on1 ZINC000218100972 359039999 /nfs/dbraw/zinc/03/99/99/359039999.db2.gz GBEYMZKOEHPEKN-UHFFFAOYSA-N 0 0 298.306 1.022 50 70 CDIARN CSCCC(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000217156341 358982216 /nfs/dbraw/zinc/98/22/16/358982216.db2.gz NKDOWQVNEBCULX-VIFPVBQESA-N 0 0 254.359 1.264 50 70 CDIARN CCOc1ncccc1CNC(=O)[C@H]1CCCCO1 ZINC000160901945 364425111 /nfs/dbraw/zinc/42/51/11/364425111.db2.gz WZNPAQNQVZUNDI-GFCCVEGCSA-N 0 0 264.325 1.666 50 70 CDIARN O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCCO1 ZINC000161316994 364477837 /nfs/dbraw/zinc/47/78/37/364477837.db2.gz USOQXGPQERUSMC-CYBMUJFWSA-N 0 0 277.320 1.643 50 70 CDIARN CC(C)[C@@H](CO)NC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000218093520 189713246 /nfs/dbraw/zinc/71/32/46/189713246.db2.gz YWPZSFXJTJCZBP-CYBMUJFWSA-N 0 0 274.320 1.275 50 70 biogenic CDIARN O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1COC[C@@H]1O ZINC000218009055 189713494 /nfs/dbraw/zinc/71/34/94/189713494.db2.gz QPMBDNMOEODABA-IRXDYDNUSA-N 0 0 297.354 1.772 50 70 CDIARN CCCNC(=O)NCCn1nc(-c2ccncc2)cc1C ZINC000217870702 375753823 /nfs/dbraw/zinc/75/38/23/375753823.db2.gz IONSTVLUQJRHNE-UHFFFAOYSA-N 0 0 287.367 1.963 50 70 CDIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(CC(C)C)nn1C ZINC000218217213 359045961 /nfs/dbraw/zinc/04/59/61/359045961.db2.gz SHWQQPOMKPDJIA-DGCLKSJQSA-N 0 0 281.400 1.755 50 70 CDIARN CN(C(=O)[C@@H](O)c1ccc(F)cc1)C1CCOCC1 ZINC000217157472 358982284 /nfs/dbraw/zinc/98/22/84/358982284.db2.gz JNTOOBINRMMPCC-ZDUSSCGKSA-N 0 0 267.300 1.497 50 70 CDIARN [NH3+]C[C@H]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000218349090 359051469 /nfs/dbraw/zinc/05/14/69/359051469.db2.gz BWKSNOVJHNVKKJ-SNVBAGLBSA-N 0 0 268.744 1.395 50 70 CDIARN CSCC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218426014 359053684 /nfs/dbraw/zinc/05/36/84/359053684.db2.gz BLGZSJHLVGZFIK-GBIKHYSHSA-N 0 0 266.366 1.373 50 70 CDIARN Cc1scnc1CN1CCCn2nc(CO)cc2C1 ZINC000217785150 262344455 /nfs/dbraw/zinc/34/44/55/262344455.db2.gz BBCAHCJZVMXZPP-UHFFFAOYSA-N 0 0 278.381 1.546 50 70 CDIARN CC1(C)C[C@H](NC(=O)c2cn[nH]n2)c2ccccc2O1 ZINC000159857832 276147867 /nfs/dbraw/zinc/14/78/67/276147867.db2.gz GMSQURYETJEDRB-JTQLQIEISA-N 0 0 272.308 1.837 50 70 CDIARN CC[C@H](NC(=O)Cc1ccc(N(C)C)cc1)C1CC(O)C1 ZINC000218418072 398208344 /nfs/dbraw/zinc/20/83/44/398208344.db2.gz HYAXFVQCELKQPE-BCLQGDPASA-N 0 0 290.407 1.961 50 70 CDIARN C[C@@H](c1ccncc1)N(C)C(=O)c1cc(CO)ccn1 ZINC000217009785 358974223 /nfs/dbraw/zinc/97/42/23/358974223.db2.gz DBKOCKXQTDLNEL-NSHDSACASA-N 0 0 271.320 1.802 50 70 CDIARN Cc1cc(C)n(CCCN(C)C(=O)Cc2nonc2C)n1 ZINC000217067684 358978473 /nfs/dbraw/zinc/97/84/73/358978473.db2.gz VCUOVPPRKDZDGD-UHFFFAOYSA-N 0 0 291.355 1.283 50 70 CDIARN COc1ccnc(CNC(=O)COC[C@H]2CCCCO2)c1 ZINC000217814293 359028650 /nfs/dbraw/zinc/02/86/50/359028650.db2.gz RICINMLSBKVCCT-CQSZACIVSA-N 0 0 294.351 1.292 50 70 CDIARN CN(C[C@@H]1COCCO1)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000217207787 358985486 /nfs/dbraw/zinc/98/54/86/358985486.db2.gz DMZGTIJDBFNORJ-LLVKDONJSA-N 0 0 299.754 1.462 50 70 CDIARN O=S(=O)(/C=C/c1ccccc1)N1CC(n2ccnn2)C1 ZINC000217713604 189711639 /nfs/dbraw/zinc/71/16/39/189711639.db2.gz FFDJJSNHDOYIAY-RMKNXTFCSA-N 0 0 290.348 1.136 50 70 CDIARN OC1CC(c2cc(NCCCn3ccnc3)ncn2)C1 ZINC000218447066 398209295 /nfs/dbraw/zinc/20/92/95/398209295.db2.gz XEDPOBHDZPYXGT-UHFFFAOYSA-N 0 0 273.340 1.414 50 70 CDIARN C[C@H](c1ccncc1)N(C)C(=O)c1cc(CO)ccn1 ZINC000217009820 358974705 /nfs/dbraw/zinc/97/47/05/358974705.db2.gz DBKOCKXQTDLNEL-LLVKDONJSA-N 0 0 271.320 1.802 50 70 CDIARN Cc1nnc([C@@H]2CCCN2C(=O)Cc2ccncc2)[nH]1 ZINC000217844393 359029041 /nfs/dbraw/zinc/02/90/41/359029041.db2.gz HGQZDCGLSIYQEQ-LBPRGKRZSA-N 0 0 271.324 1.414 50 70 CDIARN Cc1c[nH]c(C(=O)N2CCN(C3CCCCC3)C(=O)C2)n1 ZINC000217949375 359032307 /nfs/dbraw/zinc/03/23/07/359032307.db2.gz VVYKZEMTORHOEZ-UHFFFAOYSA-N 0 0 290.367 1.335 50 70 CDIARN Cc1cc(CC(=O)N2CCC[C@@H]2c2nnc(C)[nH]2)on1 ZINC000218012211 359036503 /nfs/dbraw/zinc/03/65/03/359036503.db2.gz WRBAMCRATPONKZ-LLVKDONJSA-N 0 0 275.312 1.316 50 70 CDIARN COC(=O)CS[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC000217551670 358993305 /nfs/dbraw/zinc/99/33/05/358993305.db2.gz NHQXEBMGLZNRCA-ZYOFXKKJSA-N 0 0 295.360 1.800 50 70 CDIARN O=C(Cc1cccc(O)c1)N1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000217365759 358996387 /nfs/dbraw/zinc/99/63/87/358996387.db2.gz YPIVMGSHOYQOCE-JYAVWHMHSA-N 0 0 261.321 1.164 50 70 CDIARN COC(=O)CS[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000217564181 359069288 /nfs/dbraw/zinc/06/92/88/359069288.db2.gz YXHXCZWKBDGFQR-LBPRGKRZSA-N 0 0 297.351 1.946 50 70 CDIARN Cc1cnn([C@@H](C)C(=O)N(C)Cc2nnc(C)o2)c1 ZINC000218394916 359052971 /nfs/dbraw/zinc/05/29/71/359052971.db2.gz YKTIROFKCCFCPC-VIFPVBQESA-N 0 0 263.301 1.103 50 70 CDIARN CCc1nnc(CNC(=O)CCc2cccnc2)s1 ZINC000218567366 359057864 /nfs/dbraw/zinc/05/78/64/359057864.db2.gz OLAMRHBDNQJCDG-UHFFFAOYSA-N 0 0 276.365 1.745 50 70 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C[C@@H](NC(=O)c1cnc[nH]1)c1nc(-c2cccnc2)no1 ZINC000218185372 359045238 /nfs/dbraw/zinc/04/52/38/359045238.db2.gz QRASYMZSCXZBJN-MRVPVSSYSA-N 0 0 284.279 1.346 50 70 CDIARN Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CCOC[C@H]1O ZINC000218587748 359059297 /nfs/dbraw/zinc/05/92/97/359059297.db2.gz UMSRAMQNZHUCJZ-NXEZZACHSA-N 0 0 284.381 1.455 50 70 CDIARN CCc1nnc(SCC(=O)N(C)Cc2ccon2)[nH]1 ZINC000217875625 359029309 /nfs/dbraw/zinc/02/93/09/359029309.db2.gz YIRYKNDMLURDBK-UHFFFAOYSA-N 0 0 281.341 1.106 50 70 CDIARN CSCC[C@@H](CO)NC(=O)CCc1cc(Cl)no1 ZINC000218341685 359050564 /nfs/dbraw/zinc/05/05/64/359050564.db2.gz ZOYAPMNHLFAVOP-QMMMGPOBSA-N 0 0 292.788 1.491 50 70 CDIARN COC(=O)N1CCCC[C@H]1C(=O)NCc1snnc1C ZINC000218734574 359063453 /nfs/dbraw/zinc/06/34/53/359063453.db2.gz OGWJUPQYWNSAAW-VIFPVBQESA-N 0 0 298.368 1.084 50 70 CDIARN COc1ccnc(C(=O)NCCn2cnc(C)c2C)c1 ZINC000218777662 359065526 /nfs/dbraw/zinc/06/55/26/359065526.db2.gz JKQCZCAEBRDYNI-UHFFFAOYSA-N 0 0 274.324 1.334 50 70 CDIARN O=C(NCCn1ccnc1-c1ccccn1)C1CC1 ZINC000217857779 374192601 /nfs/dbraw/zinc/19/26/01/374192601.db2.gz UZLNUFAUUQXGDX-UHFFFAOYSA-N 0 0 256.309 1.471 50 70 CDIARN COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1ccccc1 ZINC000217601703 375682785 /nfs/dbraw/zinc/68/27/85/375682785.db2.gz IRSSBHLNKKUOIJ-UONOGXRCSA-N 0 0 291.347 1.408 50 70 CDIARN CSCC[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000217731577 375719173 /nfs/dbraw/zinc/71/91/73/375719173.db2.gz LEDFDRNPCCNAQU-ZDUSSCGKSA-N 0 0 295.404 1.394 50 70 biogenic CDIARN O=C(c1cnn(-c2ccccc2)n1)N1CCc2oncc2C1 ZINC000217693318 275015676 /nfs/dbraw/zinc/01/56/76/275015676.db2.gz JXNMUNXPMHKZMJ-UHFFFAOYSA-N 0 0 295.302 1.454 50 70 CDIARN O=C(NCCCc1ccco1)[C@H]1CCC[C@H](O)C1 ZINC000218065814 359038180 /nfs/dbraw/zinc/03/81/80/359038180.db2.gz SBCIVLKVJXJNQZ-RYUDHWBXSA-N 0 0 251.326 1.880 50 70 CDIARN Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2ncccc2c1 ZINC000218221141 359045942 /nfs/dbraw/zinc/04/59/42/359045942.db2.gz LQRVMIRACOQLLI-GFCCVEGCSA-N 0 0 296.330 1.567 50 70 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Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(F)c(Cl)c1 ZINC000218367697 359051204 /nfs/dbraw/zinc/05/12/04/359051204.db2.gz ICYXEDLUGKZINI-QMMMGPOBSA-N 0 0 297.717 1.811 50 70 CDIARN Cc1cc(C[C@H](C)NC(=O)Cc2cccnc2)[nH]n1 ZINC000161116988 364449706 /nfs/dbraw/zinc/44/97/06/364449706.db2.gz NRLPYOWLDIDUBJ-JTQLQIEISA-N 0 0 258.325 1.403 50 70 CDIARN Cc1cc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)c(C)o1 ZINC000217172552 189708630 /nfs/dbraw/zinc/70/86/30/189708630.db2.gz ATEWKDKYHDNIGK-UHFFFAOYSA-N 0 0 298.306 1.402 50 70 CDIARN O=C(CCCC(=O)c1ccccc1)N[C@@H]1CCOC1 ZINC000217939088 189712912 /nfs/dbraw/zinc/71/29/12/189712912.db2.gz PGQBZQQMDKKAQJ-CYBMUJFWSA-N 0 0 261.321 1.945 50 70 CDIARN COC(=O)CS[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000217558531 375671350 /nfs/dbraw/zinc/67/13/50/375671350.db2.gz HLYBBBJNOKKHBK-NEPJUHHUSA-N 0 0 283.393 1.850 50 70 CDIARN NC(=O)C1(C(=O)NCc2cnc3ccccc3c2)CC1 ZINC000216923413 358970186 /nfs/dbraw/zinc/97/01/86/358970186.db2.gz FTIPZBGMHSYYAU-UHFFFAOYSA-N 0 0 269.304 1.117 50 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CCOCC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 ZINC000218432776 359053409 /nfs/dbraw/zinc/05/34/09/359053409.db2.gz YSNSIUQZJJQSFR-KGLIPLIRSA-N 0 0 297.326 1.515 50 70 CDIARN O=C(c1cc(Cl)ccc1F)N1CCC[C@](O)(CO)C1 ZINC000217154629 361597692 /nfs/dbraw/zinc/59/76/92/361597692.db2.gz ZWNLUSUWWRFRSN-CYBMUJFWSA-N 0 0 287.718 1.439 50 70 CDIARN Cc1nonc1CC(=O)NCc1cn2cccc(C)c2n1 ZINC000217082305 189708471 /nfs/dbraw/zinc/70/84/71/189708471.db2.gz OXDZYMAINNUJJR-UHFFFAOYSA-N 0 0 285.307 1.193 50 70 CDIARN CO[C@@H]1COCC[C@H]1NC(=O)CCC(F)(F)F ZINC000218008280 262345268 /nfs/dbraw/zinc/34/52/68/262345268.db2.gz SDOBTZVWFVFRJD-HTQZYQBOSA-N 0 0 255.236 1.249 50 70 CDIARN CC[C@@H](NC(=O)Cc1ccc(N(C)C)cc1)C1CC(O)C1 ZINC000218417995 398208151 /nfs/dbraw/zinc/20/81/51/398208151.db2.gz HYAXFVQCELKQPE-AVVWSFFYSA-N 0 0 290.407 1.961 50 70 CDIARN CSCC[C@@H](O)C(=O)N(C)Cc1cccnc1 ZINC000216923964 358970350 /nfs/dbraw/zinc/97/03/50/358970350.db2.gz NXUHFBYDFSDCAV-LLVKDONJSA-N 0 0 254.355 1.154 50 70 CDIARN O=C(c1ccnn1CCO)N1CC[C@@H](C2CCCCC2)C1 ZINC000218431650 359053547 /nfs/dbraw/zinc/05/35/47/359053547.db2.gz HIHXEWZHZYMGPW-CQSZACIVSA-N 0 0 291.395 1.918 50 70 CDIARN O=C(Cc1cccc(O)c1)NCCn1cc(Cl)cn1 ZINC000218666882 361597247 /nfs/dbraw/zinc/59/72/47/361597247.db2.gz IMQHTWFMIDIBBW-UHFFFAOYSA-N 0 0 279.727 1.601 50 70 CDIARN CC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000217796819 374189593 /nfs/dbraw/zinc/18/95/93/374189593.db2.gz BPLJIBDENZHXKI-BXUZGUMPSA-N 0 0 277.364 1.687 50 70 biogenic CDIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cccc(O)c2)o1 ZINC000217779634 391919750 /nfs/dbraw/zinc/91/97/50/391919750.db2.gz OETJFOHOOBGVRQ-NSHDSACASA-N 0 0 289.287 1.367 50 70 biogenic CDIARN COC(=O)N[C@@H](C)C(=O)NCc1cccc2[nH]ccc21 ZINC000218445353 398208950 /nfs/dbraw/zinc/20/89/50/398208950.db2.gz LZUNLCVHNIYISP-VIFPVBQESA-N 0 0 275.308 1.529 50 70 CDIARN Cc1ncsc1CCNC(=O)c1cc(CO)ccn1 ZINC000217747999 359024281 /nfs/dbraw/zinc/02/42/81/359024281.db2.gz YUJDMNMLPMASGT-UHFFFAOYSA-N 0 0 277.349 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CDIARN COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1ccccc1 ZINC000217601623 375683296 /nfs/dbraw/zinc/68/32/96/375683296.db2.gz IRSSBHLNKKUOIJ-ZIAGYGMSSA-N 0 0 291.347 1.408 50 70 CDIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000218309151 359049220 /nfs/dbraw/zinc/04/92/20/359049220.db2.gz KNKZCDDKUGXVFV-QMTHXVAHSA-N 0 0 288.347 1.665 50 70 CDIARN CCn1nc(C)c([C@@H](C)NC(=O)CN2CCOCC2)c1C ZINC000218293619 359049717 /nfs/dbraw/zinc/04/97/17/359049717.db2.gz CWORJCVHJCRLKE-LLVKDONJSA-N 0 0 294.399 1.029 50 70 CDIARN CCc1nnc(CNC(=O)Cc2cc(C)no2)s1 ZINC000218379188 359052193 /nfs/dbraw/zinc/05/21/93/359052193.db2.gz GLCMIJRKGWZOEJ-UHFFFAOYSA-N 0 0 266.326 1.256 50 70 CDIARN COCc1cc(CNC(=O)c2cn(C)c3ccccc23)[nH]n1 ZINC000218429422 359053792 /nfs/dbraw/zinc/05/37/92/359053792.db2.gz DNRBRSPDPNDMCI-UHFFFAOYSA-N 0 0 298.346 1.978 50 70 CDIARN COCC[C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)CCO1 ZINC000218514558 359056467 /nfs/dbraw/zinc/05/64/67/359056467.db2.gz ZUOWAILFVYCGQD-CQSZACIVSA-N 0 0 293.363 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255.339 1.098 50 70 CDIARN CC[C@@H](O)c1cc2n(n1)CCN(Cc1nccs1)C2 ZINC000217016793 358974461 /nfs/dbraw/zinc/97/44/61/358974461.db2.gz LTHQGPYZNJQEKO-GFCCVEGCSA-N 0 0 278.381 1.799 50 70 CDIARN CSCC[C@H](O)C(=O)N(C)CCc1ccncc1 ZINC000217214909 358985018 /nfs/dbraw/zinc/98/50/18/358985018.db2.gz LQXKGTSYMVRZBP-LBPRGKRZSA-N 0 0 268.382 1.197 50 70 CDIARN CC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(F)c(O)c1 ZINC000218247254 359047287 /nfs/dbraw/zinc/04/72/87/359047287.db2.gz BLARPXXWWOODCD-NSHDSACASA-N 0 0 280.299 1.224 50 70 CDIARN Nc1ccc(C(=O)N2CCOc3ccc(CO)cc3C2)cn1 ZINC000217428539 359001784 /nfs/dbraw/zinc/00/17/84/359001784.db2.gz XSIMBTGLUBTAST-UHFFFAOYSA-N 0 0 299.330 1.191 50 70 CDIARN CC(=O)N1CC(Nc2ccc(C(N)=O)c(Cl)c2)=CC1=O ZINC000218504456 359056261 /nfs/dbraw/zinc/05/62/61/359056261.db2.gz ALMIIDRPJMHQMC-UHFFFAOYSA-N 0 0 293.710 1.123 50 70 CDIARN Cc1cc(C(=O)N[C@@H](C)Cc2cccnc2)cc(=O)[nH]1 ZINC000217955917 189713111 /nfs/dbraw/zinc/71/31/11/189713111.db2.gz XDIJBFMAKPNCBS-JTQLQIEISA-N 0 0 271.320 1.439 50 70 CDIARN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCSCC1 ZINC000160812544 362501809 /nfs/dbraw/zinc/50/18/09/362501809.db2.gz LPNHVSFNXKPDHO-UHFFFAOYSA-N 0 0 274.349 1.661 50 70 CDIARN COC[C@H](NC(=O)c1ccc(N)nc1)c1ccccn1 ZINC000218091504 359039990 /nfs/dbraw/zinc/03/99/90/359039990.db2.gz IQHCWCHAEBDOOE-LBPRGKRZSA-N 0 0 272.308 1.176 50 70 CDIARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc(CO)o1 ZINC000217158910 358982364 /nfs/dbraw/zinc/98/23/64/358982364.db2.gz VDALBLQZNRGAIZ-ZETCQYMHSA-N 0 0 263.297 1.603 50 70 CDIARN Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000218582453 359059324 /nfs/dbraw/zinc/05/93/24/359059324.db2.gz KLZKESOUFHETBC-NSHDSACASA-N 0 0 288.355 1.175 50 70 CDIARN C[C@@H](Sc1ccccn1)C(=O)NCc1cnn(C)c1 ZINC000217077227 189708717 /nfs/dbraw/zinc/70/87/17/189708717.db2.gz CEAKOKOCVQREMA-SNVBAGLBSA-N 0 0 276.365 1.612 50 70 CDIARN Cn1cc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cn1 ZINC000217754184 391920217 /nfs/dbraw/zinc/92/02/17/391920217.db2.gz JBHHHOYTCMMFEE-NSHDSACASA-N 0 0 296.282 1.968 50 70 biogenic CDIARN C[C@@H](c1ccncn1)N(C)C(=O)Cc1ccccn1 ZINC000217724954 359023594 /nfs/dbraw/zinc/02/35/94/359023594.db2.gz IRVMMCBZYHQAKI-NSHDSACASA-N 0 0 256.309 1.634 50 70 CDIARN O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc[nH]c1 ZINC000218029426 359036171 /nfs/dbraw/zinc/03/61/71/359036171.db2.gz HJCHDKLXEIQHBT-ZNMIVQPWSA-N 0 0 285.347 1.522 50 70 CDIARN CSc1ncc(C(=O)N[C@H](C)Cc2ccccn2)cn1 ZINC000218079751 359039084 /nfs/dbraw/zinc/03/90/84/359039084.db2.gz BHWLGUGZCRSMAY-SNVBAGLBSA-N 0 0 288.376 1.955 50 70 CDIARN O=C(CCCOCc1ccccc1)N[C@@H]1CCOC[C@H]1O ZINC000218266124 359048594 /nfs/dbraw/zinc/04/85/94/359048594.db2.gz HOAPDXFRSXORBW-HUUCEWRRSA-N 0 0 293.363 1.249 50 70 CDIARN Cc1cc(CNC(=O)CCCn2nc(C)cc2C)on1 ZINC000218347520 359051031 /nfs/dbraw/zinc/05/10/31/359051031.db2.gz RQKPIYDPKSGCBZ-UHFFFAOYSA-N 0 0 276.340 1.893 50 70 CDIARN Cc1cnn([C@H](C)C(=O)N(C)Cc2nnc(C)o2)c1 ZINC000218394994 359052967 /nfs/dbraw/zinc/05/29/67/359052967.db2.gz YKTIROFKCCFCPC-SECBINFHSA-N 0 0 263.301 1.103 50 70 CDIARN COCC(=O)N[C@H](c1ccncc1)c1ccc(OC)cc1 ZINC000218481058 359055592 /nfs/dbraw/zinc/05/55/92/359055592.db2.gz CBJFMHPOMBHHNY-INIZCTEOSA-N 0 0 286.331 1.942 50 70 CDIARN C[C@@H](NC(=O)c1ccn(C(F)F)n1)c1nnc(N)s1 ZINC000218527187 359057256 /nfs/dbraw/zinc/05/72/56/359057256.db2.gz LJWBYGZBIIIQLG-SCSAIBSYSA-N 0 0 288.283 1.203 50 70 CDIARN COC(=O)CS[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC000217550088 375668514 /nfs/dbraw/zinc/66/85/14/375668514.db2.gz AHXZTWAQWYXRJG-SNVBAGLBSA-N 0 0 257.355 1.294 50 70 CDIARN CC(=O)NCCC1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC000217035006 358975941 /nfs/dbraw/zinc/97/59/41/358975941.db2.gz JKBUITZDVLQNLQ-UHFFFAOYSA-N 0 0 278.356 1.097 50 70 CDIARN Cc1cccnc1CN1CCn2nc(CO)cc2C1 ZINC000217823985 359028205 /nfs/dbraw/zinc/02/82/05/359028205.db2.gz PZPBBCLMDLNBSM-UHFFFAOYSA-N 0 0 258.325 1.095 50 70 CDIARN Cc1nonc1CC(=O)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000217614966 359014590 /nfs/dbraw/zinc/01/45/90/359014590.db2.gz JIJKOTZOJSDXIE-LBPRGKRZSA-N 0 0 289.339 1.056 50 70 CDIARN CSCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218426083 359053749 /nfs/dbraw/zinc/05/37/49/359053749.db2.gz BLGZSJHLVGZFIK-CWSCBRNRSA-N 0 0 266.366 1.373 50 70 CDIARN O=C(Cc1c(F)cccc1F)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000218685769 359062661 /nfs/dbraw/zinc/06/26/61/359062661.db2.gz UJUBWZCAMOHRSM-JCOFBHIZSA-N 0 0 267.275 1.801 50 70 CDIARN Cc1ncsc1CCN(C)C(=O)C(=O)c1cccn1C ZINC000217205998 189709214 /nfs/dbraw/zinc/70/92/14/189709214.db2.gz AGYQZORKFKAYKW-UHFFFAOYSA-N 0 0 291.376 1.674 50 70 CDIARN O=C(Cc1ccncc1)N1CCC(n2cnnc2)CC1 ZINC000217747588 189711837 /nfs/dbraw/zinc/71/18/37/189711837.db2.gz UBJNQMZRIXOUHC-UHFFFAOYSA-N 0 0 271.324 1.079 50 70 CDIARN CC(=O)N1CC(Nc2ccc(O)c3ncccc23)=CC1=O ZINC000218561345 375856820 /nfs/dbraw/zinc/85/68/20/375856820.db2.gz SOGHWOMAMDISSM-UHFFFAOYSA-N 0 0 283.287 1.625 50 70 CDIARN Cc1nc(N)sc1C(=O)NCC[C@H]1CCCCO1 ZINC000217136580 358982354 /nfs/dbraw/zinc/98/23/54/358982354.db2.gz UGKAKDDKZOGFLH-SECBINFHSA-N 0 0 269.370 1.723 50 70 CDIARN O=C(NCCc1ccncc1)[C@@H](O)c1ccc(F)cc1 ZINC000217164972 358983450 /nfs/dbraw/zinc/98/34/50/358983450.db2.gz HLKBTYOBUUYDFY-AWEZNQCLSA-N 0 0 274.295 1.613 50 70 CDIARN Cc1cc(C)n2c(nnc2C(=O)NCCc2ccncc2)n1 ZINC000217196356 358984026 /nfs/dbraw/zinc/98/40/26/358984026.db2.gz CZQZULKPJGOPED-UHFFFAOYSA-N 0 0 296.334 1.109 50 70 CDIARN COC(=O)CS[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000217550761 358988379 /nfs/dbraw/zinc/98/83/79/358988379.db2.gz HWATWEJVSNLXTB-SNVBAGLBSA-N 0 0 273.398 1.930 50 70 CDIARN COCc1nc(CNC(=O)CCC(F)(F)F)no1 ZINC000218351212 359051046 /nfs/dbraw/zinc/05/10/46/359051046.db2.gz ZYQGFQKTWFXIAG-UHFFFAOYSA-N 0 0 267.207 1.175 50 70 CDIARN Cc1cc([C@@H]2CCCN2C(=O)Cc2cnccn2)on1 ZINC000218369003 359051105 /nfs/dbraw/zinc/05/11/05/359051105.db2.gz CXQYVPSRHKUVIC-LBPRGKRZSA-N 0 0 272.308 1.679 50 70 CDIARN O=C(C[C@H]1C=CCC1)NCc1nc(-c2cnccn2)n[nH]1 ZINC000217471942 189710354 /nfs/dbraw/zinc/71/03/54/189710354.db2.gz OFHNVXDGPRRTBC-JTQLQIEISA-N 0 0 284.323 1.234 50 70 CDIARN Cc1cncnc1C1CCN(C(=O)Cc2cnccn2)CC1 ZINC000217860743 189712276 /nfs/dbraw/zinc/71/22/76/189712276.db2.gz JQSXMKJWSYJZLV-UHFFFAOYSA-N 0 0 297.362 1.524 50 70 CDIARN COC(=O)CS[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000217551200 375669609 /nfs/dbraw/zinc/66/96/09/375669609.db2.gz MUOYMLZANOPNPU-SECBINFHSA-N 0 0 284.337 1.104 50 70 CDIARN COc1cc(CCC(=O)N[C@H](CO)c2ccccc2)on1 ZINC000217888716 375756824 /nfs/dbraw/zinc/75/68/24/375756824.db2.gz GHIACDLQQDCARV-CYBMUJFWSA-N 0 0 290.319 1.466 50 70 biogenic CDIARN N#Cc1ccc(S(=O)(=O)F)c(Br)c1 ZINC000238851160 268189369 /nfs/dbraw/zinc/18/93/69/268189369.db2.gz FNXGDGSCGDKJKD-UHFFFAOYSA-N 0 0 264.075 1.979 50 70 CDIARN Cc1ccnn1CC(=O)N(C)CC[C@H]1CCCCO1 ZINC000217800409 359027961 /nfs/dbraw/zinc/02/79/61/359027961.db2.gz NEIWZUCSBLOYHS-CYBMUJFWSA-N 0 0 265.357 1.609 50 70 CDIARN COc1ccnc(C(=O)N(C)Cc2cccnc2)c1 ZINC000218136804 359043421 /nfs/dbraw/zinc/04/34/21/359043421.db2.gz IERUPMSAULYZGT-UHFFFAOYSA-N 0 0 257.293 1.757 50 70 CDIARN Cc1nc2cc(CNC(=O)CN3CCCC3=O)ccc2[nH]1 ZINC000217199211 358984215 /nfs/dbraw/zinc/98/42/15/358984215.db2.gz HIYWSMWRTBIDFY-UHFFFAOYSA-N 0 0 286.335 1.110 50 70 CDIARN Cc1cc2nc(CNC(=O)Cc3c[nH]cn3)[nH]c2cc1C ZINC000217474836 359003941 /nfs/dbraw/zinc/00/39/41/359003941.db2.gz PEVLDHNKNKAAGA-UHFFFAOYSA-N 0 0 283.335 1.762 50 70 CDIARN CSCC[C@@H](O)C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000217643709 359016433 /nfs/dbraw/zinc/01/64/33/359016433.db2.gz NDEMWXRSVXEDCX-GFCCVEGCSA-N 0 0 293.392 1.635 50 70 CDIARN COc1coc(C(=O)N(C)Cc2ccccc2)cc1=O ZINC000218477722 359055751 /nfs/dbraw/zinc/05/57/51/359055751.db2.gz MKOWGRNPFKKRHZ-UHFFFAOYSA-N 0 0 273.288 1.921 50 70 CDIARN CCc1csc(CNC(=O)[C@@H](O)CCSC)n1 ZINC000218778441 359065545 /nfs/dbraw/zinc/06/55/45/359065545.db2.gz DJKDTKKUIUIONP-VIFPVBQESA-N 0 0 274.411 1.436 50 70 CDIARN CCNc1nc(C)c(C(=O)N(C)Cc2cnccn2)s1 ZINC000217116535 189708237 /nfs/dbraw/zinc/70/82/37/189708237.db2.gz WRIZEIKBFQFPRI-UHFFFAOYSA-N 0 0 291.380 1.946 50 70 CDIARN Cc1nnc(CNC(=O)c2[nH]nc(N)c2-c2ccccc2)o1 ZINC000217099592 189708319 /nfs/dbraw/zinc/70/83/19/189708319.db2.gz RTPGAFRPLUTJLQ-UHFFFAOYSA-N 0 0 298.306 1.280 50 70 CDIARN CCC1=NO[C@H](C(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000218402162 398208480 /nfs/dbraw/zinc/20/84/80/398208480.db2.gz JNMFPPVGKHGFPX-NSHDSACASA-N 0 0 277.328 1.066 50 70 CDIARN C[SiH](C)[Si]([SiH](C)C)([SiH](C)C)[SiH](C)C ZINC000199873229 358593178 /nfs/dbraw/zinc/59/31/78/358593178.db2.gz FKGZHILWPVEUNC-UHFFFAOYSA-N 0 0 264.742 1.696 50 70 CDIARN CC[C@H](O)c1cc2n(n1)CCN(Cc1nccs1)C2 ZINC000217016836 358974586 /nfs/dbraw/zinc/97/45/86/358974586.db2.gz LTHQGPYZNJQEKO-LBPRGKRZSA-N 0 0 278.381 1.799 50 70 CDIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1sc(N)nc1C ZINC000217033821 358975822 /nfs/dbraw/zinc/97/58/22/358975822.db2.gz TURIPXYLSAKLEB-RXMQYKEDSA-N 0 0 279.369 1.865 50 70 CDIARN CCc1nccn1CCNC(=O)[C@H]1CCC[C@H](O)C1 ZINC000217990623 359034282 /nfs/dbraw/zinc/03/42/82/359034282.db2.gz LWLRDZCCOMETMW-RYUDHWBXSA-N 0 0 265.357 1.113 50 70 CDIARN O=C(NCCCn1ncc2ccccc21)c1ccno1 ZINC000218006181 359036454 /nfs/dbraw/zinc/03/64/54/359036454.db2.gz IDDBCCLHOWECFN-UHFFFAOYSA-N 0 0 270.292 1.844 50 70 CDIARN O=C(c1cnccn1)N1CCC([C@H](O)c2ccccn2)CC1 ZINC000218180701 359045440 /nfs/dbraw/zinc/04/54/40/359045440.db2.gz XOIPNUUYDXIMNZ-HNNXBMFYSA-N 0 0 298.346 1.457 50 70 CDIARN COC(=O)CNC(=O)c1sc(-c2ccncc2)nc1C ZINC000218318415 359050613 /nfs/dbraw/zinc/05/06/13/359050613.db2.gz KIMWVANOUCAPNX-UHFFFAOYSA-N 0 0 291.332 1.416 50 70 CDIARN CCNc1nc(C)c(C(=O)NCCc2cn[nH]c2)s1 ZINC000217391720 358998079 /nfs/dbraw/zinc/99/80/79/358998079.db2.gz PRMKIXZDJCMJRT-UHFFFAOYSA-N 0 0 279.369 1.579 50 70 CDIARN CCCO[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000217590387 359012733 /nfs/dbraw/zinc/01/27/33/359012733.db2.gz FKXIOTAQXSSYSN-JTQLQIEISA-N 0 0 265.313 1.213 50 70 CDIARN COC[C@@H]1[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H]2CCO[C@H]12 ZINC000218521732 359057577 /nfs/dbraw/zinc/05/75/77/359057577.db2.gz BFNDRTZUZGAWSB-XGUBFFRZSA-N 0 0 290.363 1.478 50 70 CDIARN CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N(C)C)cc1 ZINC000218549209 359058473 /nfs/dbraw/zinc/05/84/73/359058473.db2.gz FGPOJYPERCKNDV-HUUCEWRRSA-N 0 0 292.379 1.676 50 70 CDIARN Cc1ccc(OCC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 ZINC000218597375 359059076 /nfs/dbraw/zinc/05/90/76/359059076.db2.gz GOUXVTZUUHZYBC-RDBSUJKOSA-N 0 0 261.321 1.667 50 70 CDIARN CO[C@@H]1CCN(C(=O)c2cnc(SC)nc2)C1 ZINC000218627781 359060438 /nfs/dbraw/zinc/06/04/38/359060438.db2.gz ULRJSRMBFQBODL-SECBINFHSA-N 0 0 253.327 1.059 50 70 CDIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)CC(C)C)o1 ZINC000217728999 375718373 /nfs/dbraw/zinc/71/83/73/375718373.db2.gz RKEUPAOPKSFHNR-SECBINFHSA-N 0 0 253.298 1.659 50 70 biogenic CDIARN Cc1nnc([C@H]2CCCN2C(=O)Cc2ccncc2)[nH]1 ZINC000217844481 359028985 /nfs/dbraw/zinc/02/89/85/359028985.db2.gz HGQZDCGLSIYQEQ-GFCCVEGCSA-N 0 0 271.324 1.414 50 70 CDIARN Cc1ccc2c(c1)C[C@H](C(=O)NCCc1cn[nH]c1)N2 ZINC000217885660 359030834 /nfs/dbraw/zinc/03/08/34/359030834.db2.gz RCZJAWZWTSSBCW-CQSZACIVSA-N 0 0 270.336 1.414 50 70 CDIARN O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc[nH]c1 ZINC000218029512 359036869 /nfs/dbraw/zinc/03/68/69/359036869.db2.gz HJCHDKLXEIQHBT-QLFBSQMISA-N 0 0 285.347 1.522 50 70 CDIARN Cc1nc(N)sc1C(=O)NCC[C@@H]1CCCCO1 ZINC000217136570 358982232 /nfs/dbraw/zinc/98/22/32/358982232.db2.gz UGKAKDDKZOGFLH-VIFPVBQESA-N 0 0 269.370 1.723 50 70 CDIARN C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cccc(N)n3)C2)C1 ZINC000217206313 358985494 /nfs/dbraw/zinc/98/54/94/358985494.db2.gz FJGFPHIIQNMKBA-INIZCTEOSA-N 0 0 288.395 1.612 50 70 CDIARN Cc1cccc([C@H](C)NC(=O)c2cc(C)nc(N)n2)n1 ZINC000218236902 359046814 /nfs/dbraw/zinc/04/68/14/359046814.db2.gz WNXTUGLWVVQXNE-JTQLQIEISA-N 0 0 271.324 1.562 50 70 CDIARN COC(=O)CS[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000217550897 358991584 /nfs/dbraw/zinc/99/15/84/358991584.db2.gz FWZRZDDJXOGMQD-LLVKDONJSA-N 0 0 280.349 1.202 50 70 CDIARN Cc1cccnc1CN(C)C(=O)c1cc(CO)ccn1 ZINC000217447244 359003410 /nfs/dbraw/zinc/00/34/10/359003410.db2.gz OHUKPDPFEOWVDL-UHFFFAOYSA-N 0 0 271.320 1.550 50 70 CDIARN O=C(C[C@@H]1C=CCC1)NCc1nc(-c2cnccn2)n[nH]1 ZINC000217471867 359003846 /nfs/dbraw/zinc/00/38/46/359003846.db2.gz OFHNVXDGPRRTBC-SNVBAGLBSA-N 0 0 284.323 1.234 50 70 CDIARN COc1ccc(C(=O)N2CCC[C@H](c3nnc(C)[nH]3)C2)o1 ZINC000217680376 359019394 /nfs/dbraw/zinc/01/93/94/359019394.db2.gz VLAZNFOGIXSWLH-JTQLQIEISA-N 0 0 290.323 1.735 50 70 CDIARN COC[C@@H]1[C@@H](NC(=O)c2ccccc2)[C@@H]2CCO[C@H]12 ZINC000218351802 359051074 /nfs/dbraw/zinc/05/10/74/359051074.db2.gz DJYITBFACJHHJN-CRWXNKLISA-N 0 0 261.321 1.466 50 70 CDIARN O=C(NCc1cc(C2CC2)on1)[C@H]1CCC[C@H](O)C1 ZINC000218546212 359057413 /nfs/dbraw/zinc/05/74/13/359057413.db2.gz OMGXHNVGRPRUOZ-JQWIXIFHSA-N 0 0 264.325 1.719 50 70 CDIARN CCc1c(C)nn(CCNC(=O)Cc2cccnc2)c1C ZINC000218550957 359058396 /nfs/dbraw/zinc/05/83/96/359058396.db2.gz KOMOVEZKUSGBPP-UHFFFAOYSA-N 0 0 286.379 1.816 50 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CC[C@@H](NC(=O)c1ccc(O)c(C)c1)C1CC(O)C1 ZINC000218757836 359064908 /nfs/dbraw/zinc/06/49/08/359064908.db2.gz IWMOKHMYYCGYDS-WXRRBKDZSA-N 0 0 263.337 1.980 50 70 CDIARN CC(=O)N1CC(Nc2cccc([C@H](C)O)c2)=CC1=O ZINC000217995156 189712775 /nfs/dbraw/zinc/71/27/75/189712775.db2.gz IOOVCVVRAYMRPB-VIFPVBQESA-N 0 0 260.293 1.424 50 70 biogenic CDIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccco2)o1 ZINC000217723936 375719144 /nfs/dbraw/zinc/71/91/44/375719144.db2.gz RXTVAUCYKMHVEN-QMMMGPOBSA-N 0 0 263.249 1.254 50 70 biogenic CDIARN CC[C@H](NC(=O)CCC(=O)N(C)C)c1nc(C)c[nH]1 ZINC000217018009 358974395 /nfs/dbraw/zinc/97/43/95/358974395.db2.gz RPVMSXRGNKGPRQ-JTQLQIEISA-N 0 0 266.345 1.154 50 70 CDIARN CSCC[C@@H](O)C(=O)N(C)Cc1ncccc1C ZINC000217019239 358974614 /nfs/dbraw/zinc/97/46/14/358974614.db2.gz JCPZULRKIWUESU-GFCCVEGCSA-N 0 0 268.382 1.462 50 70 CDIARN COC[C@@H]1[C@H](NC(=O)Cc2cccs2)[C@@H]2CCO[C@H]12 ZINC000218340082 359050218 /nfs/dbraw/zinc/05/02/18/359050218.db2.gz WFNNJUISDDUSOB-UNJBNNCHSA-N 0 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/nfs/dbraw/zinc/05/22/48/359052248.db2.gz BDCYPNRLDCBGDT-AWEZNQCLSA-N 0 0 262.353 1.947 50 70 CDIARN Cc1oncc1C(=O)NCCc1nc(-c2ccccn2)no1 ZINC000218392827 359052560 /nfs/dbraw/zinc/05/25/60/359052560.db2.gz FEMSRFVLYSPOGG-UHFFFAOYSA-N 0 0 299.290 1.401 50 70 CDIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc(CO)o1 ZINC000217158901 189708497 /nfs/dbraw/zinc/70/84/97/189708497.db2.gz VDALBLQZNRGAIZ-SSDOTTSWSA-N 0 0 263.297 1.603 50 70 CDIARN CN(C)c1ccccc1C(=O)NCc1cnn2cccnc12 ZINC000217890872 189712434 /nfs/dbraw/zinc/71/24/34/189712434.db2.gz LHYCTEZVUBYLLV-UHFFFAOYSA-N 0 0 295.346 1.725 50 70 CDIARN CCn1ncnc1CN1CCC(O)(c2cccnc2)CC1 ZINC000217073927 358978684 /nfs/dbraw/zinc/97/86/84/358978684.db2.gz LEPAOVNEFCOVKJ-UHFFFAOYSA-N 0 0 287.367 1.177 50 70 CDIARN C[C@H](O)c1cc2n(n1)CCN(Cc1cc(C3CC3)on1)C2 ZINC000217059277 358977719 /nfs/dbraw/zinc/97/77/19/358977719.db2.gz XYBPHRUYJQVLDJ-JTQLQIEISA-N 0 0 288.351 1.818 50 70 CDIARN CCN(Cc1ccccn1)C(=O)c1c[nH]c(=O)cn1 ZINC000218140086 359043603 /nfs/dbraw/zinc/04/36/03/359043603.db2.gz NXBSQOGKCYZRHD-UHFFFAOYSA-N 0 0 258.281 1.240 50 70 CDIARN CN1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1c1ccccc1 ZINC000217126572 358981212 /nfs/dbraw/zinc/98/12/12/358981212.db2.gz HTBZPPFHEXTFES-OAHLLOKOSA-N 0 0 284.363 1.468 50 70 CDIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc2cccnc21 ZINC000218261196 359047620 /nfs/dbraw/zinc/04/76/20/359047620.db2.gz DXMWXEACHYZILA-LBPRGKRZSA-N 0 0 296.330 1.567 50 70 CDIARN COc1ncccc1CN1CCCn2nc(CO)cc2C1 ZINC000217525162 359007060 /nfs/dbraw/zinc/00/70/60/359007060.db2.gz SWZPEHZTLDBOQA-UHFFFAOYSA-N 0 0 288.351 1.185 50 70 CDIARN COC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000217561220 359011216 /nfs/dbraw/zinc/01/12/16/359011216.db2.gz CPTYOTVHBUWKHL-LLVKDONJSA-N 0 0 264.325 1.100 50 70 CDIARN CC(C)c1nnc(NC(=O)c2cc(-c3ccccn3)[nH]n2)[nH]1 ZINC000218541113 359057422 /nfs/dbraw/zinc/05/74/22/359057422.db2.gz QPLMXXMMTPZZBQ-UHFFFAOYSA-N 0 0 297.322 1.966 50 70 CDIARN CCCn1ncnc1[C@H](C)NC(=O)c1ncccc1O ZINC000218721274 359063876 /nfs/dbraw/zinc/06/38/76/359063876.db2.gz OLQJYIMDPKIYSJ-VIFPVBQESA-N 0 0 275.312 1.280 50 70 CDIARN CCCn1ncnc1[C@H](C)NC(=O)Cc1cccnc1 ZINC000218236038 359046900 /nfs/dbraw/zinc/04/69/00/359046900.db2.gz PPMFJKKFNRPVNM-NSHDSACASA-N 0 0 273.340 1.503 50 70 CDIARN Cc1nonc1CC(=O)N[C@@H](C)c1nc(C(C)C)no1 ZINC000217679555 359019053 /nfs/dbraw/zinc/01/90/53/359019053.db2.gz CGPOJWZVVIYWLT-QMMMGPOBSA-N 0 0 279.300 1.304 50 70 CDIARN C[C@H](c1ccncn1)N(C)C(=O)C(=O)Nc1ccccc1 ZINC000218620707 359060575 /nfs/dbraw/zinc/06/05/75/359060575.db2.gz HMQVCNCZTRDCCI-LLVKDONJSA-N 0 0 284.319 1.635 50 70 CDIARN Cc1c[nH]c(CN(C)C(=O)c2cc(=O)cc(C)o2)n1 ZINC000216909155 262341875 /nfs/dbraw/zinc/34/18/75/262341875.db2.gz YKJFSLNVKTWVMI-UHFFFAOYSA-N 0 0 261.281 1.252 50 70 CDIARN CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000217769680 262344626 /nfs/dbraw/zinc/34/46/26/262344626.db2.gz HLHGCHQVKHUYAP-IAZYJMLFSA-N 0 0 278.377 1.646 50 70 CDIARN CN(Cc1ncc[nH]1)C(=O)[C@H](O)c1cccc(Cl)c1 ZINC000217003578 358973839 /nfs/dbraw/zinc/97/38/39/358973839.db2.gz YBXRKTACKFORML-GFCCVEGCSA-N 0 0 279.727 1.755 50 70 CDIARN CN(Cc1cnccn1)C(=O)CCCn1cccn1 ZINC000218383518 359052424 /nfs/dbraw/zinc/05/24/24/359052424.db2.gz CCPIPGPRKMJXSE-UHFFFAOYSA-N 0 0 259.313 1.112 50 70 CDIARN Cc1cc(N)n(CC(=O)N(Cc2nccs2)C2CC2)n1 ZINC000218479707 359055542 /nfs/dbraw/zinc/05/55/42/359055542.db2.gz OXRYBXRODAMLPM-UHFFFAOYSA-N 0 0 291.380 1.421 50 70 CDIARN C[C@@H](Cc1cnccn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC000218615186 359058998 /nfs/dbraw/zinc/05/89/98/359058998.db2.gz JOGHIHHMQVXBKX-VIFPVBQESA-N 0 0 295.293 1.771 50 70 CDIARN O=C(COCC(F)(F)C(F)F)NCCc1cnccn1 ZINC000218771883 359064798 /nfs/dbraw/zinc/06/47/98/359064798.db2.gz YLOIRRUUVQESOF-UHFFFAOYSA-N 0 0 295.236 1.052 50 70 CDIARN COC(=O)C[C@H](c1c(O)c(C(=O)OC)c[nH]c1=O)C(C)C ZINC000218037522 391929918 /nfs/dbraw/zinc/92/99/18/391929918.db2.gz UOLFYGFZPBXVDZ-QMMMGPOBSA-N 0 0 297.307 1.170 50 70 biogenic CDIARN Fc1ccc2[nH]c(CCCNc3ncncn3)nc2c1 ZINC000218034885 262344997 /nfs/dbraw/zinc/34/49/97/262344997.db2.gz QXZJXDGAFAKPKA-UHFFFAOYSA-N 0 0 272.287 1.932 50 70 CDIARN Cc1ccc(C)n1CC(=O)NCc1nnc2ccccn21 ZINC000218438941 398209197 /nfs/dbraw/zinc/20/91/97/398209197.db2.gz ZGJYWNYATPQKNI-UHFFFAOYSA-N 0 0 283.335 1.464 50 70 CDIARN Cc1nn(C)c(C)c1C(=O)N[C@@H](C)Cc1cccnc1 ZINC000217132821 358981664 /nfs/dbraw/zinc/98/16/64/358981664.db2.gz QFLKFEQRSOJHAE-JTQLQIEISA-N 0 0 272.352 1.793 50 70 CDIARN CCCc1cnc(C)nc1C[C@@H]1CC(=O)N(CCOC)C1 ZINC000218267371 359048159 /nfs/dbraw/zinc/04/81/59/359048159.db2.gz PWQKTLALBXZNFE-CYBMUJFWSA-N 0 0 291.395 1.775 50 70 CDIARN COc1cccc2c1OCCCN(C(=O)c1c[nH]cn1)C2 ZINC000217589900 359012882 /nfs/dbraw/zinc/01/28/82/359012882.db2.gz UAOFPIFTZVOZOB-UHFFFAOYSA-N 0 0 287.319 1.843 50 70 CDIARN Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000218705426 359062331 /nfs/dbraw/zinc/06/23/31/359062331.db2.gz LZTNEZKVIUAZDO-UPJWGTAASA-N 0 0 264.325 1.518 50 70 CDIARN O=C(CCc1cc(Cl)no1)NC[C@@H]1CCCCO1 ZINC000217125982 189708387 /nfs/dbraw/zinc/70/83/87/189708387.db2.gz SXGBSLUUQZUBCG-JTQLQIEISA-N 0 0 272.732 1.946 50 70 CDIARN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(OC)c1 ZINC000217602108 189711065 /nfs/dbraw/zinc/71/10/65/189711065.db2.gz CZBQHBPZUBGBNM-OLZOCXBDSA-N 0 0 293.319 1.098 50 70 CDIARN Cc1nnsc1C(=O)NCC[C@@H](O)c1ccsc1 ZINC000217525070 375663211 /nfs/dbraw/zinc/66/32/11/375663211.db2.gz ZOXWHDIMGYGGAZ-SECBINFHSA-N 0 0 283.378 1.762 50 70 CDIARN CC(=O)N1CC(Nc2cccc([C@@H](C)O)c2)=CC1=O ZINC000217995237 375773131 /nfs/dbraw/zinc/77/31/31/375773131.db2.gz IOOVCVVRAYMRPB-SECBINFHSA-N 0 0 260.293 1.424 50 70 biogenic CDIARN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000217427462 278130767 /nfs/dbraw/zinc/13/07/67/278130767.db2.gz WCFFSIHYUQAEPU-HBCZOZSTSA-N 0 0 299.282 1.248 50 70 CDIARN Cc1nc2s/c(=C\c3cc(F)c(F)c(F)c3)c(=O)n2n1 ZINC000218547065 282132939 /nfs/dbraw/zinc/13/29/39/282132939.db2.gz MXBSCSMAHVRILI-WTKPLQERSA-N 0 0 297.261 1.424 50 70 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/nfs/dbraw/zinc/71/31/76/189713176.db2.gz NWXXQFKNHUILIR-ISZGNANSSA-N 0 0 274.320 1.871 50 70 CDIARN CCC(=O)N1C[C@H](Oc2ccccc2F)C[C@H]1C(=O)OC ZINC000217868714 375753922 /nfs/dbraw/zinc/75/39/22/375753922.db2.gz BOKDVCOQWUNOSP-PWSUYJOCSA-N 0 0 295.310 1.757 50 70 CDIARN O=c1[nH]c2cc3c(cc2cc1CN1CCOCC1)OCO3 ZINC000218050529 391929840 /nfs/dbraw/zinc/92/98/40/391929840.db2.gz UPFGTGWAJFVYAQ-UHFFFAOYSA-N 0 0 288.303 1.089 50 70 biogenic CDIARN C[C@H](Sc1ccccn1)C(=O)NCCc1cn[nH]c1 ZINC000217783226 262344317 /nfs/dbraw/zinc/34/43/17/262344317.db2.gz GJEPQZLKDMQVPF-JTQLQIEISA-N 0 0 276.365 1.644 50 70 CDIARN CSCC[C@@H](O)C(=O)NCCc1scnc1C ZINC000217035061 358975712 /nfs/dbraw/zinc/97/57/12/358975712.db2.gz ISTGQGLLORHKNZ-SECBINFHSA-N 0 0 274.411 1.224 50 70 CDIARN COC[C@@H]1CCN(C(=O)C2(Cn3ccnc3)CC2)C1 ZINC000218181587 359044875 /nfs/dbraw/zinc/04/48/75/359044875.db2.gz JPKOGUNKNPVRAJ-GFCCVEGCSA-N 0 0 263.341 1.158 50 70 CDIARN COCCN1C[C@H](Cc2ccc3c(c2)OCO3)CC1=O ZINC000218270606 359048709 /nfs/dbraw/zinc/04/87/09/359048709.db2.gz FNCSRVONYJUDBS-GFCCVEGCSA-N 0 0 277.320 1.453 50 70 CDIARN Cc1cc(CC(=O)N[C@@H](c2nccn2C)C2CC2)on1 ZINC000218573180 359058376 /nfs/dbraw/zinc/05/83/76/359058376.db2.gz RZNMBNNSVPHQAZ-CYBMUJFWSA-N 0 0 274.324 1.527 50 70 CDIARN CO[C@H]1CCN(C(=O)c2cnc(SC)nc2)C1 ZINC000218627870 359060471 /nfs/dbraw/zinc/06/04/71/359060471.db2.gz ULRJSRMBFQBODL-VIFPVBQESA-N 0 0 253.327 1.059 50 70 CDIARN Cc1cc(C[C@H](C)NC(=O)Cn2cnc3ccccc32)[nH]n1 ZINC000218664561 359061511 /nfs/dbraw/zinc/06/15/11/359061511.db2.gz NILYTJRHPIAZRS-NSHDSACASA-N 0 0 297.362 1.815 50 70 CDIARN CC1(C)OC(=O)C[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000218014962 189713413 /nfs/dbraw/zinc/71/34/13/189713413.db2.gz UWKOYBYWPXWPCW-JTQLQIEISA-N 0 0 291.303 1.373 50 70 biogenic CDIARN COc1cn(CC(=O)NCCc2ccco2)c(C)cc1=O ZINC000218195958 189713935 /nfs/dbraw/zinc/71/39/35/189713935.db2.gz MZTIQZMXNZSZRZ-UHFFFAOYSA-N 0 0 290.319 1.117 50 70 CDIARN CCCS(=O)(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217891753 375757467 /nfs/dbraw/zinc/75/74/67/375757467.db2.gz BHOVUUNUODOZCA-UHFFFAOYSA-N 0 0 299.421 1.941 50 70 CDIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccccn1 ZINC000218221779 348744597 /nfs/dbraw/zinc/74/45/97/348744597.db2.gz IPSLBMNRHGFHMZ-UHFFFAOYSA-N 0 0 286.335 1.957 50 70 CDIARN COC(=O)CS[C@H]1CCN(C(=O)c2cccs2)C1 ZINC000217551389 375669046 /nfs/dbraw/zinc/66/90/46/375669046.db2.gz LTAHMFCTVSMBTC-VIFPVBQESA-N 0 0 285.390 1.869 50 70 CDIARN CC(C)S(=O)(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218243830 342873811 /nfs/dbraw/zinc/87/38/11/342873811.db2.gz KKRKYXXBVTXGNJ-UHFFFAOYSA-N 0 0 287.385 1.460 50 70 CDIARN CCOC(=O)c1cc(N2C(=O)c3ccccc3C2=O)[nH]n1 ZINC000217048138 358977027 /nfs/dbraw/zinc/97/70/27/358977027.db2.gz SNHOEDUIPXGEKN-UHFFFAOYSA-N 0 0 285.259 1.387 50 70 CDIARN O=C(NCc1nnc(-c2ccccc2)o1)c1ccc[nH]1 ZINC000217974395 359033389 /nfs/dbraw/zinc/03/33/89/359033389.db2.gz FSJDCXPGWKIIEV-UHFFFAOYSA-N 0 0 268.276 1.995 50 70 CDIARN O=C(Cn1ccnc1)NCc1cc(-c2cccnc2)no1 ZINC000218044812 359037347 /nfs/dbraw/zinc/03/73/47/359037347.db2.gz JATQXGCKACTDIB-UHFFFAOYSA-N 0 0 283.291 1.250 50 70 CDIARN Cc1cc([C@H]2CCCN2C(=O)Cc2cnccn2)on1 ZINC000218369078 359050956 /nfs/dbraw/zinc/05/09/56/359050956.db2.gz CXQYVPSRHKUVIC-GFCCVEGCSA-N 0 0 272.308 1.679 50 70 CDIARN CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000218350607 359051188 /nfs/dbraw/zinc/05/11/88/359051188.db2.gz AMHDZFZERZEYHC-HTQZYQBOSA-N 0 0 275.757 1.935 50 70 CDIARN O=C(COc1ccc(F)cc1)NCCSc1c[nH]nn1 ZINC000218529223 359057377 /nfs/dbraw/zinc/05/73/77/359057377.db2.gz OIAWHFFPXIBPBQ-UHFFFAOYSA-N 0 0 296.327 1.231 50 70 CDIARN O=C(NCC[C@H]1COc2ccccc2O1)c1cnc[nH]1 ZINC000217062768 189708363 /nfs/dbraw/zinc/70/83/63/189708363.db2.gz VKIVOSAKFMEOQA-JTQLQIEISA-N 0 0 273.292 1.370 50 70 CDIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccco2)o1 ZINC000217723851 375717707 /nfs/dbraw/zinc/71/77/07/375717707.db2.gz RXTVAUCYKMHVEN-MRVPVSSYSA-N 0 0 263.249 1.254 50 70 biogenic CDIARN O=C(c1ccsc1)N1CCC[C@@](O)(CO)CC1 ZINC000216993381 358973242 /nfs/dbraw/zinc/97/32/42/358973242.db2.gz STGCFFQDQHJIRU-LBPRGKRZSA-N 0 0 255.339 1.098 50 70 CDIARN CCc1ccc(C(=O)N2CCC(CNC(C)=O)CC2)[nH]1 ZINC000218130347 359042360 /nfs/dbraw/zinc/04/23/60/359042360.db2.gz MODSTBNBSGRSEV-UHFFFAOYSA-N 0 0 277.368 1.565 50 70 CDIARN CC(C)Nc1cc(N2CCn3nc(CO)cc3C2)ncn1 ZINC000217174906 358983139 /nfs/dbraw/zinc/98/31/39/358983139.db2.gz XHLGRSJKPSYLDV-UHFFFAOYSA-N 0 0 288.355 1.006 50 70 CDIARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cccn1C ZINC000217179580 358984235 /nfs/dbraw/zinc/98/42/35/358984235.db2.gz SJHXPQVXTMJVMK-UHFFFAOYSA-N 0 0 260.341 1.648 50 70 CDIARN Cn1cc([C@H](NC(=O)c2ccsc2)C2CC(O)C2)cn1 ZINC000218330843 189714103 /nfs/dbraw/zinc/71/41/03/189714103.db2.gz IKBACYUAPYSNHC-KGPNIALWSA-N 0 0 291.376 1.724 50 70 CDIARN O=C(/C=C/c1ccoc1)NCC[C@@H](O)C1CCOCC1 ZINC000217922069 375762211 /nfs/dbraw/zinc/76/22/11/375762211.db2.gz KQWZORMZQWGJMZ-VSZDKKFSSA-N 0 0 279.336 1.587 50 70 CDIARN Cn1nccc1[C@H]1CC(=O)Oc2cc3c(cc21)OCO3 ZINC000218334013 294613765 /nfs/dbraw/zinc/61/37/65/294613765.db2.gz TZUPBCTXNRGRPJ-QMMMGPOBSA-N 0 0 272.260 1.590 50 70 CDIARN CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)NC2=O ZINC000216942114 358971373 /nfs/dbraw/zinc/97/13/73/358971373.db2.gz QLAZCVDUCREIFJ-ZJUUUORDSA-N 0 0 291.376 1.154 50 70 CDIARN Cc1nonc1CC(=O)N1CCC[C@H]1c1ccccn1 ZINC000216968929 358972220 /nfs/dbraw/zinc/97/22/20/358972220.db2.gz AKPSDWHLYDZVQA-ZDUSSCGKSA-N 0 0 272.308 1.679 50 70 CDIARN CSCC[C@H](O)C(=O)N(C)Cc1ncccc1C ZINC000217019278 358974309 /nfs/dbraw/zinc/97/43/09/358974309.db2.gz JCPZULRKIWUESU-LBPRGKRZSA-N 0 0 268.382 1.462 50 70 CDIARN OC[C@H](O)c1cc2n(n1)CCN(C/C=C/c1ccco1)C2 ZINC000217035624 358975881 /nfs/dbraw/zinc/97/58/81/358975881.db2.gz BIDSOATWTHZDBH-KZTTYJGESA-N 0 0 289.335 1.031 50 70 CDIARN COCc1cc(CNC(=O)c2ccc3nc(C)cn3c2)[nH]n1 ZINC000218008725 359036487 /nfs/dbraw/zinc/03/64/87/359036487.db2.gz MFPLGLNZUBRZOI-UHFFFAOYSA-N 0 0 299.334 1.442 50 70 CDIARN C[C@H](c1ccon1)N(C)C(=O)C(=O)c1cccnc1 ZINC000217104913 358980727 /nfs/dbraw/zinc/98/07/27/358980727.db2.gz NBILQHORFWECKB-SECBINFHSA-N 0 0 259.265 1.472 50 70 CDIARN CCc1nccn1CCC(=O)N[C@@H](C)Cc1cccnc1 ZINC000217349733 358995337 /nfs/dbraw/zinc/99/53/37/358995337.db2.gz ZVKITJWEGKTRQY-ZDUSSCGKSA-N 0 0 286.379 1.978 50 70 CDIARN Cc1n[nH]c(C)c1CCNC(=O)c1ccc(F)c(O)c1 ZINC000217382664 358996939 /nfs/dbraw/zinc/99/69/39/358996939.db2.gz FLPDNSWOYPGJPH-UHFFFAOYSA-N 0 0 277.299 1.844 50 70 CDIARN COc1cccc(OC2CN(C(=O)[C@@]3(C)CCCO3)C2)c1 ZINC000218493906 359056338 /nfs/dbraw/zinc/05/63/38/359056338.db2.gz CWDFQVJOJRRBPO-MRXNPFEDSA-N 0 0 291.347 1.854 50 70 CDIARN O=C(NCCc1noc(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000217454321 189710484 /nfs/dbraw/zinc/71/04/84/189710484.db2.gz GPOAKUVNSZLYPU-LBPRGKRZSA-N 0 0 287.319 1.574 50 70 CDIARN CCO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c2c1CCCC2 ZINC000218297388 391035110 /nfs/dbraw/zinc/03/51/10/391035110.db2.gz YPAXAVXDURCLAJ-CHWSQXEVSA-N 0 0 293.367 1.212 50 70 CDIARN CN(C)c1ncccc1C(=O)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000217028210 289438426 /nfs/dbraw/zinc/43/84/26/289438426.db2.gz HQZXFVYFQIBTHE-JLLWLGSASA-N 0 0 261.325 1.055 50 70 CDIARN COC(=O)CS[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC000217551741 517992301 /nfs/dbraw/zinc/99/23/01/517992301.db2.gz NHQXEBMGLZNRCA-ITKZLYELSA-N 0 0 295.360 1.800 50 70 CDIARN O=C(Cc1cnc[nH]1)N1CCC[C@H]1c1ccccn1 ZINC000217066963 358978519 /nfs/dbraw/zinc/97/85/19/358978519.db2.gz BOFVJRGDIWEKFK-ZDUSSCGKSA-N 0 0 256.309 1.711 50 70 CDIARN CN(Cc1ncc[nH]1)C(=O)[C@@H](O)c1cccc(Cl)c1 ZINC000217003567 358973596 /nfs/dbraw/zinc/97/35/96/358973596.db2.gz YBXRKTACKFORML-LBPRGKRZSA-N 0 0 279.727 1.755 50 70 CDIARN CCN(Cc1noc(C)n1)C(=O)c1cnc(C)cn1 ZINC000218302928 359049282 /nfs/dbraw/zinc/04/92/82/359049282.db2.gz UUEPZXRGKDNZGG-UHFFFAOYSA-N 0 0 261.285 1.139 50 70 CDIARN CSCc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3O)o1 ZINC000217502812 359005586 /nfs/dbraw/zinc/00/55/86/359005586.db2.gz XXWILCWWHQHYBM-IWIIMEHWSA-N 0 0 281.377 1.986 50 70 CDIARN CSCCC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000217156332 189708424 /nfs/dbraw/zinc/70/84/24/189708424.db2.gz NKDOWQVNEBCULX-SECBINFHSA-N 0 0 254.359 1.264 50 70 CDIARN CCn1nc(C)c(CNC(=O)c2noc(C)c2CO)c1C ZINC000217153252 189708449 /nfs/dbraw/zinc/70/84/49/189708449.db2.gz YFPFHLYSDLALQI-UHFFFAOYSA-N 0 0 292.339 1.239 50 70 CDIARN COCCN1C[C@@H](Cc2ccc3c(c2)OCO3)CC1=O ZINC000218270529 189714218 /nfs/dbraw/zinc/71/42/18/189714218.db2.gz FNCSRVONYJUDBS-LBPRGKRZSA-N 0 0 277.320 1.453 50 70 CDIARN O=C1[C@@H]2[C@@H]3CCC[C@]4([C@@H]5C[C@@H]5C=C[C@@]234)N1S(=O)(=O)Cl ZINC000101003433 374377683 /nfs/dbraw/zinc/37/76/83/374377683.db2.gz RIAGORKKYGEIKN-CFERCFMISA-N 0 0 299.779 1.673 50 70 CDIARN Cc1nnc([C@@H](C)NC(=O)c2ccc(F)c(O)c2)[nH]1 ZINC000217002330 358973221 /nfs/dbraw/zinc/97/32/21/358973221.db2.gz LHOPCWNXHSBWTF-ZCFIWIBFSA-N 0 0 264.260 1.449 50 70 CDIARN C[C@H](Cc1cccnc1)NC(=O)CN(C)Cc1cccnc1 ZINC000217899896 359030805 /nfs/dbraw/zinc/03/08/05/359030805.db2.gz LXFBXTPSZDMIDG-CQSZACIVSA-N 0 0 298.390 1.656 50 70 CDIARN CN(C(=O)[C@H](O)c1ccc(F)cc1)C1CCOCC1 ZINC000217157481 358982236 /nfs/dbraw/zinc/98/22/36/358982236.db2.gz JNTOOBINRMMPCC-CYBMUJFWSA-N 0 0 267.300 1.497 50 70 CDIARN O=C(CCc1cccnc1)NCCC[C@@H]1CCOC1 ZINC000218376129 359051835 /nfs/dbraw/zinc/05/18/35/359051835.db2.gz BDCYPNRLDCBGDT-CQSZACIVSA-N 0 0 262.353 1.947 50 70 CDIARN Cc1cc(C)nc(NCC(=O)NCc2cccn2C)n1 ZINC000218384082 359051973 /nfs/dbraw/zinc/05/19/73/359051973.db2.gz GEPOIXPUFNRVGH-UHFFFAOYSA-N 0 0 273.340 1.160 50 70 CDIARN C[C@@H](Cc1cccnc1)NC(=O)c1ccc(N)nc1 ZINC000217530597 189710108 /nfs/dbraw/zinc/71/01/08/189710108.db2.gz BCCKTSCCZPLDSA-JTQLQIEISA-N 0 0 256.309 1.420 50 70 CDIARN