smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc2c1ncnc2-c1ccc2c(c1)OCCO2 ZINC000032507852 927572914 /nfs/dbraw/zinc/57/29/14/927572914.db2.gz KYZROBLQNNQXII-UHFFFAOYSA-N 0 0 284.340 3.438 50 0 CGAARN Cn1nccc1CN1CCCC[C@H]1c1cccc(F)c1 ZINC001506405523 937989545 /nfs/dbraw/zinc/98/95/45/937989545.db2.gz FQNPFNWDPNHJIN-INIZCTEOSA-N 0 0 273.355 3.286 50 0 CGAARN Cc1ccc(-c2nnc(NC(=O)c3ccc[nH]3)s2)cc1 ZINC001506399025 937989588 /nfs/dbraw/zinc/98/95/88/937989588.db2.gz WNHTXGOLRQAGNP-UHFFFAOYSA-N 0 0 284.344 3.094 50 0 CGAARN Cc1nc(CN(C)Cc2cc(C)cc(C)n2)sc1C ZINC001506426477 937990235 /nfs/dbraw/zinc/99/02/35/937990235.db2.gz HJPKRAVDBIEFAY-UHFFFAOYSA-N 0 0 275.421 3.404 50 0 CGAARN Cc1cnc(NC[C@H]2CC23CCCCC3)nc1N(C)C ZINC001529162143 938071416 /nfs/dbraw/zinc/07/14/16/938071416.db2.gz XMJKVPIVTTYEML-CYBMUJFWSA-N 0 0 274.412 3.233 50 0 CGAARN COCCC1CCN(c2ccc(Cl)c(C)n2)CC1 ZINC001529190724 938071539 /nfs/dbraw/zinc/07/15/39/938071539.db2.gz NDFBGJRYEVRNMC-UHFFFAOYSA-N 0 0 268.788 3.296 50 0 CGAARN Brc1ccccc1CCOCC1CC1 ZINC001529596369 938073963 /nfs/dbraw/zinc/07/39/63/938073963.db2.gz SKMLIXIRIXTSGK-UHFFFAOYSA-N 0 0 255.155 3.418 50 0 CGAARN Cc1nc(C)c(CNc2cccc3c2OCCO3)s1 ZINC000096446409 230374670 /nfs/dbraw/zinc/37/46/70/230374670.db2.gz VWTHPJSVNLAFEY-UHFFFAOYSA-N 0 0 276.361 3.143 50 0 CGAARN Cc1occc1C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000096460811 230377955 /nfs/dbraw/zinc/37/79/55/230377955.db2.gz SZGFUYCPLMVNAI-UHFFFAOYSA-N 0 0 279.299 3.297 50 0 CGAARN Nc1cc(Cl)c(Br)cc1OCC1CC1 ZINC000095494788 184997813 /nfs/dbraw/zinc/99/78/13/184997813.db2.gz FWEZSOAVGYFTNL-UHFFFAOYSA-N 0 0 276.561 3.474 50 0 CGAARN Cc1ccc([C@@H](C)N[C@H](C)c2nc(C3CC3)no2)o1 ZINC000096502741 230385380 /nfs/dbraw/zinc/38/53/80/230385380.db2.gz VYYOETZHYGHXMA-NXEZZACHSA-N 0 0 261.325 3.260 50 0 CGAARN Cc1ccc([C@@H]2CSCCN2C(=O)c2cccnc2)cc1 ZINC000098010259 230389844 /nfs/dbraw/zinc/38/98/44/230389844.db2.gz JMSIPFVZVRKHOO-INIZCTEOSA-N 0 0 298.411 3.320 50 0 CGAARN Cc1ncsc1C(=O)N1CCC2(C1)CCCCC2 ZINC000098013427 230390500 /nfs/dbraw/zinc/39/05/00/230390500.db2.gz UCIIAQOMPZAZBX-UHFFFAOYSA-N 0 0 264.394 3.248 50 0 CGAARN COc1ccc([C@@H]2OCC[C@@]3(CCOC(C)(C)C3)O2)cc1 ZINC000004063700 230368290 /nfs/dbraw/zinc/36/82/90/230368290.db2.gz BKALHQOFEBPYHQ-WBVHZDCISA-N 0 0 292.375 3.459 50 0 biogenic CGAARN CCn1nc(Cc2cccc(Cl)c2)nc1CSC ZINC000095507971 185000766 /nfs/dbraw/zinc/00/07/66/185000766.db2.gz MTVVALKXNCYYQR-UHFFFAOYSA-N 0 0 281.812 3.405 50 0 CGAARN Cc1cc(C)c(NC(=O)N2CC(c3cccnc3)C2)c(C)n1 ZINC000095509731 185001187 /nfs/dbraw/zinc/00/11/87/185001187.db2.gz GCNVWYOCPYOPBH-UHFFFAOYSA-N 0 0 296.374 3.033 50 0 CGAARN O=C(NCCCn1ccnc1)Nc1cccc2ccccc21 ZINC000100635138 230392184 /nfs/dbraw/zinc/39/21/84/230392184.db2.gz SFQCQHCMFGPPMT-UHFFFAOYSA-N 0 0 294.358 3.248 50 0 CGAARN O=C(Nc1cc(C2CC2)[nH]n1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000150297634 230394900 /nfs/dbraw/zinc/39/49/00/230394900.db2.gz LAXIFYBTVBLPOV-CHWSQXEVSA-N 0 0 267.332 3.029 50 0 CGAARN Cc1oncc1C(=O)NCc1cccnc1-c1cccs1 ZINC000225761518 230399449 /nfs/dbraw/zinc/39/94/49/230399449.db2.gz DANPASHAFRYNLW-UHFFFAOYSA-N 0 0 299.355 3.037 50 0 CGAARN Cc1ccc2c(cc(C(=O)N(C)Cc3cscn3)n2C)c1 ZINC000426628739 230424873 /nfs/dbraw/zinc/42/48/73/230424873.db2.gz IXFCBZVRLPFVLK-UHFFFAOYSA-N 0 0 299.399 3.215 50 0 CGAARN CC(C)(C)OC(=O)Nc1cnccc1C(F)(F)F ZINC000095630148 185016857 /nfs/dbraw/zinc/01/68/57/185016857.db2.gz QMNYTBCUQSYLNR-UHFFFAOYSA-N 0 0 262.231 3.447 50 0 CGAARN CSCCOc1ccc(I)cc1 ZINC000095950797 185039402 /nfs/dbraw/zinc/03/94/02/185039402.db2.gz DWRIYLLAHOTIIR-UHFFFAOYSA-N 0 0 294.157 3.033 50 0 CGAARN CCc1cc(CN[C@@H](C)c2ccc(OC)cc2)on1 ZINC000095968379 185046208 /nfs/dbraw/zinc/04/62/08/185046208.db2.gz IGNSWHXPPNASIZ-NSHDSACASA-N 0 0 260.337 3.096 50 0 CGAARN Fc1ccc(CNc2cccc(-c3ncon3)c2)cc1 ZINC000095971967 185049217 /nfs/dbraw/zinc/04/92/17/185049217.db2.gz ISQOVIQEIKQBHK-UHFFFAOYSA-N 0 0 269.279 3.488 50 0 CGAARN Cc1cncc(NCc2c[nH]nc2-c2ccccc2)c1 ZINC000095972294 185049415 /nfs/dbraw/zinc/04/94/15/185049415.db2.gz XAUDIBDVIHSSEK-UHFFFAOYSA-N 0 0 264.332 3.392 50 0 CGAARN CCCn1cc(N[C@H](C)c2ccc(OC)cc2)cn1 ZINC000095991570 185058165 /nfs/dbraw/zinc/05/81/65/185058165.db2.gz KIINCLUMRWEIST-GFCCVEGCSA-N 0 0 259.353 3.475 50 0 CGAARN c1ncc(CNc2nnc(CC3CCCC3)s2)s1 ZINC000095992347 185059348 /nfs/dbraw/zinc/05/93/48/185059348.db2.gz QTDNCMXPUHXJNM-UHFFFAOYSA-N 0 0 280.422 3.339 50 0 CGAARN CCn1cc(CNc2cccc(Cl)c2N(C)C)cn1 ZINC000095994152 185059605 /nfs/dbraw/zinc/05/96/05/185059605.db2.gz FORSRSNRHPEXNL-UHFFFAOYSA-N 0 0 278.787 3.235 50 0 CGAARN C[C@H]1C[C@@H](CNc2cccc(Cn3cccn3)c2)CCO1 ZINC000095994923 185059990 /nfs/dbraw/zinc/05/99/90/185059990.db2.gz JCWDRNCWDLWXLQ-GJZGRUSLSA-N 0 0 285.391 3.158 50 0 CGAARN C[C@H](OC(=O)C1=COCCC1)c1nc2ccccc2o1 ZINC000096005847 185062737 /nfs/dbraw/zinc/06/27/37/185062737.db2.gz VSHDACIJXBPPDF-JTQLQIEISA-N 0 0 273.288 3.126 50 0 CGAARN C[C@@H](OC(=O)c1ccncc1)c1nc2ccccc2o1 ZINC000096005844 185062840 /nfs/dbraw/zinc/06/28/40/185062840.db2.gz OBUJCVOAKBLZPL-SNVBAGLBSA-N 0 0 268.272 3.141 50 0 CGAARN COC(=O)Nc1ccc(NC(=O)c2ccsc2)cc1F ZINC000096008711 185063945 /nfs/dbraw/zinc/06/39/45/185063945.db2.gz FTHRXLZXCADTGN-UHFFFAOYSA-N 0 0 294.307 3.318 50 0 CGAARN O=C(/C=C\c1cccnc1)Nc1ccc2[nH]ccc2c1 ZINC000096034992 185068085 /nfs/dbraw/zinc/06/80/85/185068085.db2.gz WTZHDOFUYHDEEZ-UTCJRWHESA-N 0 0 263.300 3.215 50 0 CGAARN CO[C@@H](CNC(=O)Cc1cccs1)c1ccccc1C ZINC000096104923 185098891 /nfs/dbraw/zinc/09/88/91/185098891.db2.gz BTBGXGQGHUKBCR-HNNXBMFYSA-N 0 0 289.400 3.103 50 0 CGAARN CO[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1C ZINC000096105017 185098909 /nfs/dbraw/zinc/09/89/09/185098909.db2.gz OGCFURFNKCTURR-HOCLYGCPSA-N 0 0 273.376 3.155 50 0 CGAARN CCOc1cccc(/C=C/c2nc3ccccc3[nH]c2=O)c1 ZINC000096118924 185102418 /nfs/dbraw/zinc/10/24/18/185102418.db2.gz SWGHMTHYVJTHLK-ZHACJKMWSA-N 0 0 292.338 3.492 50 0 CGAARN CC(C)(C)S[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC000096120038 185102422 /nfs/dbraw/zinc/10/24/22/185102422.db2.gz PMDXVNNNQKQCQJ-NSHDSACASA-N 0 0 269.435 3.494 50 0 CGAARN CC[C@](CNC(=O)[C@H]1CC=CCC1)(OC)c1ccccc1 ZINC000096123733 185102901 /nfs/dbraw/zinc/10/29/01/185102901.db2.gz FOKMXBNUNVMAQQ-MAUKXSAKSA-N 0 0 287.403 3.411 50 0 CGAARN c1ccc(-c2ccc3c(c2)CCO3)c(CN2CCOCC2)c1 ZINC000096132906 185104916 /nfs/dbraw/zinc/10/49/16/185104916.db2.gz HTLBQQVRFUBSQD-UHFFFAOYSA-N 0 0 295.382 3.121 50 0 CGAARN Cc1cc(-c2ccc(CO)cc2)cc2sc(N)nc21 ZINC000096138511 185105253 /nfs/dbraw/zinc/10/52/53/185105253.db2.gz NDDBWNFZVJFUQG-UHFFFAOYSA-N 0 0 270.357 3.346 50 0 CGAARN Cc1nc([C@@H]2CCOC2)nn1-c1ccc(Cl)cc1Cl ZINC000096138971 185105679 /nfs/dbraw/zinc/10/56/79/185105679.db2.gz HRNBBMSAXGELFI-SECBINFHSA-N 0 0 298.173 3.386 50 0 CGAARN Cn1nc(-c2ccc(C3CCCC3)cc2)ccc1=O ZINC000096139139 185105735 /nfs/dbraw/zinc/10/57/35/185105735.db2.gz HCGWTUVYICDJQJ-UHFFFAOYSA-N 0 0 254.333 3.105 50 0 CGAARN CCOC(=O)c1ccnc(Oc2ccc(C(C)=O)cc2)c1 ZINC000083251960 178369980 /nfs/dbraw/zinc/36/99/80/178369980.db2.gz VGQLJBMXBMKFIA-UHFFFAOYSA-N 0 0 285.299 3.253 50 0 CGAARN CN(c1ccccc1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096723424 185110896 /nfs/dbraw/zinc/11/08/96/185110896.db2.gz LTUBFLLZMHGRBW-SEYXRHQNSA-N 0 0 273.357 3.124 50 0 CGAARN CN(Cc1ccccc1)C(=O)/C=C\c1nc2ccccc2o1 ZINC000096859758 185118275 /nfs/dbraw/zinc/11/82/75/185118275.db2.gz SFUNXITXAIUZSM-QXMHVHEDSA-N 0 0 292.338 3.500 50 0 CGAARN O=C(/C=C\c1ccc(-c2ccccc2)s1)N1CCOCC1 ZINC000096878946 185119674 /nfs/dbraw/zinc/11/96/74/185119674.db2.gz GAIKIPXWBIJWLO-CLFYSBASSA-N 0 0 299.395 3.287 50 0 CGAARN Cc1nc2sc3c(c2c2ncnn21)[C@H](C)CCC3 ZINC000002352859 282138888 /nfs/dbraw/zinc/13/88/88/282138888.db2.gz HBTRXDPJXZQQIX-SSDOTTSWSA-N 0 0 258.350 3.087 50 0 CGAARN C/C=C\CN(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000096926368 185130726 /nfs/dbraw/zinc/13/07/26/185130726.db2.gz UYTDTRQWGJOKSP-ARJAWSKDSA-N 0 0 286.297 3.152 50 0 CGAARN COc1ccc(C)cc1[C@@H](C)NCc1nnc(C)s1 ZINC000097033039 185156140 /nfs/dbraw/zinc/15/61/40/185156140.db2.gz QRDMDLMISHFTSW-SNVBAGLBSA-N 0 0 277.393 3.014 50 0 CGAARN CCc1c[nH]c(SCC(=O)Nc2ccc(C)cc2C)n1 ZINC000096474535 529501627 /nfs/dbraw/zinc/50/16/27/529501627.db2.gz OMZPPJGKVSCHDE-UHFFFAOYSA-N 0 0 289.404 3.320 50 0 CGAARN CCc1ccc([C@H](C)NC(=O)c2cn3ccccc3n2)cc1 ZINC000097938991 529720942 /nfs/dbraw/zinc/72/09/42/529720942.db2.gz HKFBWIXAAOYXPL-ZDUSSCGKSA-N 0 0 293.370 3.388 50 0 CGAARN Cc1nnc(-n2cnc3ccccc32)c2ccccc12 ZINC000000087854 282310939 /nfs/dbraw/zinc/31/09/39/282310939.db2.gz VDMJPTRDCJBTLC-UHFFFAOYSA-N 0 0 260.300 3.277 50 0 CGAARN Cc1nn2c(ncc3c2C[C@H](C)CC3=O)c1-c1ccccc1 ZINC000002239090 282308930 /nfs/dbraw/zinc/30/89/30/282308930.db2.gz NJDXBOBMBPVBEO-NSHDSACASA-N 0 0 291.354 3.470 50 0 CGAARN CNC(=O)c1cccc(NCCc2cccs2)c1C ZINC000096496798 529950473 /nfs/dbraw/zinc/95/04/73/529950473.db2.gz WQYRJDGXNWZQPY-UHFFFAOYSA-N 0 0 274.389 3.071 50 0 CGAARN Cc1sc2c(c1C)C(=O)N[C@@H](c1ccccc1)N2 ZINC000000174012 344854403 /nfs/dbraw/zinc/85/44/03/344854403.db2.gz GIHWNBUTYSFKOQ-GFCCVEGCSA-N 0 0 258.346 3.219 50 0 CGAARN CCOC(=O)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000000343645 344854988 /nfs/dbraw/zinc/85/49/88/344854988.db2.gz RWYUOIPANURTLR-JKSUJKDBSA-N 0 0 270.328 3.067 50 0 CGAARN c1csc(-c2nnc(-c3cccnc3)c3conc32)c1 ZINC000000987970 344855699 /nfs/dbraw/zinc/85/56/99/344855699.db2.gz QYPUOGXDEFJNSY-UHFFFAOYSA-N 0 0 280.312 3.408 50 0 CGAARN Cc1cc(C)n(CCCCOc2ccccc2F)n1 ZINC000002947918 344857739 /nfs/dbraw/zinc/85/77/39/344857739.db2.gz PWRWRGIYFWTSQD-UHFFFAOYSA-N 0 0 262.328 3.498 50 0 CGAARN CC(=O)N1C[C@@H](c2ccc(F)cc2)C(c2cccs2)=N1 ZINC000005726147 344863044 /nfs/dbraw/zinc/86/30/44/344863044.db2.gz GKKBGWHNMQKVAF-ZDUSSCGKSA-N 0 0 288.347 3.237 50 0 CGAARN Cc1ccn2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)nc2c1 ZINC000020008254 344891260 /nfs/dbraw/zinc/89/12/60/344891260.db2.gz AUHKMCWWXLBIOK-LBPRGKRZSA-N 0 0 297.333 3.273 50 0 CGAARN CC(C)C(=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000022260031 344894763 /nfs/dbraw/zinc/89/47/63/344894763.db2.gz OKSDWMOBUKHXEM-MRXNPFEDSA-N 0 0 293.370 3.425 50 0 CGAARN CN(C)c1noc(C(F)(F)F)c1NC(=O)c1ccccc1 ZINC000039209049 344958602 /nfs/dbraw/zinc/95/86/02/344958602.db2.gz VPUDPPQFHGSIPH-UHFFFAOYSA-N 0 0 299.252 3.012 50 0 CGAARN Cc1ccc([C@@]2(O)c3ccccc3C(=O)N2C(C)C)c(C)c1 ZINC000039930328 344961042 /nfs/dbraw/zinc/96/10/42/344961042.db2.gz AQSAAIPZPWRHJA-LJQANCHMSA-N 0 0 295.382 3.361 50 0 CGAARN COC(=O)c1cc(N)ccc1Oc1ccc2c(c1)CCC2 ZINC000040449050 344962647 /nfs/dbraw/zinc/96/26/47/344962647.db2.gz DVUJQKUIYKVAJP-UHFFFAOYSA-N 0 0 283.327 3.336 50 0 CGAARN Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1O ZINC000034627486 344941070 /nfs/dbraw/zinc/94/10/70/344941070.db2.gz MUWUWWPOGHFRDX-UHFFFAOYSA-N 0 0 274.160 3.013 50 0 CGAARN Cc1ccnc(N2CCC[C@@H]2CC(=O)c2ccccc2)n1 ZINC000097047908 185514160 /nfs/dbraw/zinc/51/41/60/185514160.db2.gz ASBIZMWEUPSJQO-OAHLLOKOSA-N 0 0 281.359 3.027 50 0 CGAARN S=C1NC(=S)C(=CC=Cc2ccco2)S1 ZINC000056696283 345167539 /nfs/dbraw/zinc/16/75/39/345167539.db2.gz FQLSAXHMAPDZIU-OZIUOTTISA-N 0 0 253.373 3.125 50 0 CGAARN Cc1cc(NC(=O)c2cccs2)nc(C(C)C)n1 ZINC000063440772 345246114 /nfs/dbraw/zinc/24/61/14/345246114.db2.gz QLOIGJDYQNCHEJ-UHFFFAOYSA-N 0 0 261.350 3.222 50 0 CGAARN Cc1ccccc1CN(C)C(=O)Nc1cccnc1 ZINC000024535462 232170502 /nfs/dbraw/zinc/17/05/02/232170502.db2.gz MCKXZWHCJUYKQB-UHFFFAOYSA-N 0 0 255.321 3.054 50 0 CGAARN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc[nH]c1 ZINC000068287423 345348443 /nfs/dbraw/zinc/34/84/43/345348443.db2.gz MQOKPMDIVIWDCR-UHFFFAOYSA-N 0 0 282.265 3.306 50 0 CGAARN CC1(C)COCCN1Cc1coc(-c2cccc(F)c2)n1 ZINC000071830720 345404897 /nfs/dbraw/zinc/40/48/97/345404897.db2.gz OMMMXDYJYZBFQP-UHFFFAOYSA-N 0 0 290.338 3.092 50 0 CGAARN O=C(Nc1cccc2ccccc21)N[C@@H](CCO)C1CC1 ZINC000071921822 345405268 /nfs/dbraw/zinc/40/52/68/345405268.db2.gz MKJDPFXZLICNHT-HNNXBMFYSA-N 0 0 284.359 3.122 50 0 CGAARN CC(C)CC[C@H](C)NS(=O)(=O)C1CCCCC1 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Cc1ccc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC000007811923 368571607 /nfs/dbraw/zinc/57/16/07/368571607.db2.gz YKJQSPPTRIDRMZ-CHWSQXEVSA-N 0 0 278.371 3.051 50 0 CGAARN CCOC(=O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1 ZINC000008647904 368573390 /nfs/dbraw/zinc/57/33/90/368573390.db2.gz MGUKTDNBGKTMHQ-UHFFFAOYSA-N 0 0 293.322 3.372 50 0 CGAARN Cc1ccc(NC=C2c3ccccc3N(C)C2=O)cc1 ZINC000008491807 368574198 /nfs/dbraw/zinc/57/41/98/368574198.db2.gz WJKOKIIEDNVADI-PTNGSMBKSA-N 0 0 264.328 3.424 50 0 CGAARN CCCc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000009250465 368575037 /nfs/dbraw/zinc/57/50/37/368575037.db2.gz FGDPYKGIUAGQEH-UHFFFAOYSA-N 0 0 296.418 3.064 50 0 CGAARN CCC(=O)N1CCCc2ccc(NC(=O)c3ccco3)cc21 ZINC000008803548 368575173 /nfs/dbraw/zinc/57/51/73/368575173.db2.gz XSDWBVOJIVGLDQ-UHFFFAOYSA-N 0 0 298.342 3.221 50 0 CGAARN CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000009164837 368575249 /nfs/dbraw/zinc/57/52/49/368575249.db2.gz FJSGZPQWBKMYTR-UHFFFAOYSA-N 0 0 288.391 3.360 50 0 CGAARN CCCOc1ccccc1NC(=O)c1ccncc1 ZINC000010218656 368577971 /nfs/dbraw/zinc/57/79/71/368577971.db2.gz MOMJGUSSGSHVLI-UHFFFAOYSA-N 0 0 256.305 3.123 50 0 CGAARN COc1cc(CC(=O)Nc2ccccc2C)ccc1C ZINC000010403697 368580775 /nfs/dbraw/zinc/58/07/75/368580775.db2.gz WEIDFOLBPAXLHL-UHFFFAOYSA-N 0 0 269.344 3.493 50 0 CGAARN Cc1cccc(O[C@H](C)C(=O)N2CCC[C@H](C)C2)c1 ZINC000010541772 368583351 /nfs/dbraw/zinc/58/33/51/368583351.db2.gz SQTKOGRLMLRLRW-UONOGXRCSA-N 0 0 261.365 3.021 50 0 CGAARN O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cccs1 ZINC000010677150 368584706 /nfs/dbraw/zinc/58/47/06/368584706.db2.gz HLRWTPAJVDEMPI-AWEZNQCLSA-N 0 0 293.413 3.178 50 0 CGAARN Cc1csc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000010555255 368584829 /nfs/dbraw/zinc/58/48/29/368584829.db2.gz FGJMXPKZCWOWND-NSHDSACASA-N 0 0 294.763 3.047 50 0 CGAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)C(N)=O ZINC000010851543 368586523 /nfs/dbraw/zinc/58/65/23/368586523.db2.gz IUYIYJJXMUUCMF-SNVBAGLBSA-N 0 0 275.735 3.260 50 0 CGAARN O=C(COc1ccccc1)N[C@@H](c1ccccc1)C1CC1 ZINC000011203000 368588551 /nfs/dbraw/zinc/58/85/51/368588551.db2.gz PXABMJFAYSPNJL-SFHVURJKSA-N 0 0 281.355 3.333 50 0 CGAARN COc1cccc(NC(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000011559204 368591297 /nfs/dbraw/zinc/59/12/97/368591297.db2.gz TYPRUULDWFSRSH-UHFFFAOYSA-N 0 0 297.358 3.287 50 0 CGAARN COc1cccc(NC(=O)N2CCC[C@@H]2c2cccn2C)c1 ZINC000011553081 368591635 /nfs/dbraw/zinc/59/16/35/368591635.db2.gz PMSYPJUGNJLQSH-MRXNPFEDSA-N 0 0 299.374 3.403 50 0 CGAARN Cc1cc(C)cc(OCCC(=O)NCc2ccccc2)c1 ZINC000011637538 368593121 /nfs/dbraw/zinc/59/31/21/368593121.db2.gz JSQODSZSOYDRLO-UHFFFAOYSA-N 0 0 283.371 3.389 50 0 CGAARN O=C(Nc1noc2ncccc12)c1ccc(Cl)cc1 ZINC000011694961 368594567 /nfs/dbraw/zinc/59/45/67/368594567.db2.gz LDMJPJDUGIRCJA-UHFFFAOYSA-N 0 0 273.679 3.129 50 0 CGAARN CN(c1ncccc1CNc1ncccn1)C1CCCCC1 ZINC000011754133 368595519 /nfs/dbraw/zinc/59/55/19/368595519.db2.gz VPXBLEQSHZJJOL-UHFFFAOYSA-N 0 0 297.406 3.253 50 0 CGAARN Cc1ccc(-c2cc(C(=O)Nc3cccnc3)no2)cc1F ZINC000011917049 368599415 /nfs/dbraw/zinc/59/94/15/368599415.db2.gz KKYYNONFJPRIOM-UHFFFAOYSA-N 0 0 297.289 3.436 50 0 CGAARN CCc1cc(=O)[nH]c(Nc2ccc(C)c(Cl)c2)n1 ZINC000011903421 368599449 /nfs/dbraw/zinc/59/94/49/368599449.db2.gz OCRDWVJHOHQSAO-UHFFFAOYSA-N 0 0 263.728 3.038 50 0 CGAARN Cc1nc(-n2cccc2)sc1C(=O)NCCC(C)C ZINC000012322598 368608504 /nfs/dbraw/zinc/60/85/04/368608504.db2.gz ADFNBHYSGGBTKN-UHFFFAOYSA-N 0 0 277.393 3.018 50 0 CGAARN Cc1ccc([C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC000012359663 368609452 /nfs/dbraw/zinc/60/94/52/368609452.db2.gz STDPPVXSPNHUND-KRWDZBQOSA-N 0 0 291.391 3.478 50 0 CGAARN COc1ccc(/C=C2\OC(=O)c3ccccc32)cc1OC ZINC000012371171 368609600 /nfs/dbraw/zinc/60/96/00/368609600.db2.gz RPYYTHUJKJTHOE-DHDCSXOGSA-N 0 0 282.295 3.372 50 0 biogenic CGAARN COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1 ZINC000012370998 368609646 /nfs/dbraw/zinc/60/96/46/368609646.db2.gz LXNCIVHSBKWGSP-UHFFFAOYSA-N 0 0 277.327 3.401 50 0 CGAARN CC(C)(C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000012381497 368610574 /nfs/dbraw/zinc/61/05/74/368610574.db2.gz LUYYSJLCAOQBID-UHFFFAOYSA-N 0 0 296.219 3.211 50 0 CGAARN C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000012383460 368610581 /nfs/dbraw/zinc/61/05/81/368610581.db2.gz UGUQBMXJPASIPZ-CQSZACIVSA-N 0 0 283.371 3.496 50 0 CGAARN O=C(NCc1cccnc1)c1ccc2nc(C3CC3)oc2c1 ZINC000012435992 368612785 /nfs/dbraw/zinc/61/27/85/368612785.db2.gz FYGGODLCQJPTDE-UHFFFAOYSA-N 0 0 293.326 3.030 50 0 CGAARN Cc1ccnc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1 ZINC000012527281 368616324 /nfs/dbraw/zinc/61/63/24/368616324.db2.gz KNJZWYODPNCDNU-UHFFFAOYSA-N 0 0 292.342 3.202 50 0 CGAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1F ZINC000012536665 368617280 /nfs/dbraw/zinc/61/72/80/368617280.db2.gz LCPWUQGMKAEJQX-NSHDSACASA-N 0 0 258.296 3.020 50 0 CGAARN Cc1ccc(O[C@H](C)C(=O)Nc2ncccc2C)c(C)c1 ZINC000013744508 368665567 /nfs/dbraw/zinc/66/55/67/368665567.db2.gz FESKGDUKTHEHCY-CQSZACIVSA-N 0 0 284.359 3.413 50 0 CGAARN Cc1cc(NC(=O)[C@H](C)Nc2cc(C)ccc2C)no1 ZINC000012554175 368619482 /nfs/dbraw/zinc/61/94/82/368619482.db2.gz FDRYDLJZNKTJES-LBPRGKRZSA-N 0 0 273.336 3.039 50 0 CGAARN CN(CC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000012563939 368619731 /nfs/dbraw/zinc/61/97/31/368619731.db2.gz ZSXKMPCZJFHZRA-UHFFFAOYSA-N 0 0 298.411 3.262 50 0 CGAARN O=C(Nc1cccc2ncccc21)c1cc(C2CC2)on1 ZINC000012748985 368624693 /nfs/dbraw/zinc/62/46/93/368624693.db2.gz PDYFQQPZBVIDAI-UHFFFAOYSA-N 0 0 279.299 3.353 50 0 CGAARN CCCCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000012736009 368625336 /nfs/dbraw/zinc/62/53/36/368625336.db2.gz FDCXDGIOVLMLLY-UHFFFAOYSA-N 0 0 268.744 3.427 50 0 CGAARN Cc1ccc(Nc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000012778166 368627138 /nfs/dbraw/zinc/62/71/38/368627138.db2.gz STVFUIMYIQFBCN-UHFFFAOYSA-N 0 0 285.734 3.400 50 0 CGAARN O=C(COc1ccc(F)cc1F)Nc1cc(F)ccc1F ZINC000012773234 368627258 /nfs/dbraw/zinc/62/72/58/368627258.db2.gz NWAZDJDRCURWKP-UHFFFAOYSA-N 0 0 299.223 3.261 50 0 CGAARN O=C(NC1CC1)c1cccc(OCc2ccccc2)c1 ZINC000012788280 368628364 /nfs/dbraw/zinc/62/83/64/368628364.db2.gz XIDNJPLBVDFKBB-UHFFFAOYSA-N 0 0 267.328 3.158 50 0 CGAARN Cc1nc2cc(NC(=O)c3cccs3)ccc2o1 ZINC000012850967 368629250 /nfs/dbraw/zinc/62/92/50/368629250.db2.gz ZTTHICWCBMEGGG-UHFFFAOYSA-N 0 0 258.302 3.450 50 0 CGAARN CC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cc1C ZINC000012843531 368629858 /nfs/dbraw/zinc/62/98/58/368629858.db2.gz NPBSSIPYBRJIAC-UHFFFAOYSA-N 0 0 286.306 3.345 50 0 CGAARN CC1CCN(C(=O)CCc2nc3ccccc3s2)CC1 ZINC000012910414 368633689 /nfs/dbraw/zinc/63/36/89/368633689.db2.gz BZZKFSCJHJBCKT-UHFFFAOYSA-N 0 0 288.416 3.487 50 0 CGAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000012921802 368634445 /nfs/dbraw/zinc/63/44/45/368634445.db2.gz SUXXQJFBDNVDKZ-MRXNPFEDSA-N 0 0 299.374 3.403 50 0 CGAARN O=C(Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000012956254 368637096 /nfs/dbraw/zinc/63/70/96/368637096.db2.gz QVIVQEVJZWBMCS-UHFFFAOYSA-N 0 0 255.104 3.142 50 0 in-vitro CGAARN COc1cc(OC)cc(C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000012974119 368637330 /nfs/dbraw/zinc/63/73/30/368637330.db2.gz QDJZRCALBXUMCH-CYBMUJFWSA-N 0 0 299.370 3.237 50 0 CGAARN O=C(NC1CC1)[C@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000012998283 368639836 /nfs/dbraw/zinc/63/98/36/368639836.db2.gz XYYBZGIJABDSGS-MRXNPFEDSA-N 0 0 284.334 3.258 50 0 CGAARN COc1cccc(NC(=O)N(C)Cc2cccc(F)c2)c1 ZINC000013047968 368640670 /nfs/dbraw/zinc/64/06/70/368640670.db2.gz JNEIZNKQRLVXTG-UHFFFAOYSA-N 0 0 288.322 3.498 50 0 CGAARN Cc1cccc(CNC(=O)c2cccc3ncccc32)c1 ZINC000013020482 368640698 /nfs/dbraw/zinc/64/06/98/368640698.db2.gz QFECNHWEGSDTBN-UHFFFAOYSA-N 0 0 276.339 3.473 50 0 CGAARN Cc1ccnc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000013208424 368646316 /nfs/dbraw/zinc/64/63/16/368646316.db2.gz JAMPCXUCICAVDO-NSHDSACASA-N 0 0 290.750 3.449 50 0 CGAARN Cc1cnc(NC(=O)[C@@H](C)Oc2ccccc2C)s1 ZINC000013330265 368650385 /nfs/dbraw/zinc/65/03/85/368650385.db2.gz STGAFSMHMAQGAH-LLVKDONJSA-N 0 0 276.361 3.166 50 0 CGAARN CCCCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000013331818 368651542 /nfs/dbraw/zinc/65/15/42/368651542.db2.gz YIVUGPYUVTZYPN-UHFFFAOYSA-N 0 0 294.826 3.487 50 0 CGAARN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](C)C2)c(C)c1 ZINC000013331849 368651690 /nfs/dbraw/zinc/65/16/90/368651690.db2.gz ILMOOKDRGDEEGU-DZGCQCFKSA-N 0 0 275.392 3.329 50 0 CGAARN CCOc1ccccc1C(=O)NCCc1ccsc1 ZINC000013698187 368662607 /nfs/dbraw/zinc/66/26/07/368662607.db2.gz VJVCORXXIKMQGI-UHFFFAOYSA-N 0 0 275.373 3.119 50 0 CGAARN CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000013709571 368663503 /nfs/dbraw/zinc/66/35/03/368663503.db2.gz DJBUQFJJIBQYJP-UWVGGRQHSA-N 0 0 255.745 3.022 50 0 CGAARN CC(C)N(C)Cc1nc(Cc2ccccc2Cl)no1 ZINC000015074633 368689867 /nfs/dbraw/zinc/68/98/67/368689867.db2.gz RLKNBRVFLWCZTF-UHFFFAOYSA-N 0 0 279.771 3.154 50 0 CGAARN FC(F)(F)c1nc(Br)nc2c1CCCC2 ZINC000015442491 368696455 /nfs/dbraw/zinc/69/64/55/368696455.db2.gz OYOPNJOTWUFTLV-UHFFFAOYSA-N 0 0 281.075 3.137 50 0 CGAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)nc1 ZINC000015471908 368696647 /nfs/dbraw/zinc/69/66/47/368696647.db2.gz FSOOKOGPCGJRCO-JTQLQIEISA-N 0 0 290.750 3.235 50 0 CGAARN COc1ccc(C(=O)Nc2cc(C)ccc2F)cc1 ZINC000015538960 368697638 /nfs/dbraw/zinc/69/76/38/368697638.db2.gz VKAHZFZZVLGGAN-UHFFFAOYSA-N 0 0 259.280 3.395 50 0 CGAARN S=C1N=NC([C@H]2C[C@@H]2c2ccccc2)N1Cc1ccco1 ZINC000017024304 368726590 /nfs/dbraw/zinc/72/65/90/368726590.db2.gz BCGAVJAXULBBCV-KGLIPLIRSA-N 0 0 297.383 3.479 50 0 CGAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000015671181 368699567 /nfs/dbraw/zinc/69/95/67/368699567.db2.gz QNHFPBVPBFWWHS-NSHDSACASA-N 0 0 298.317 3.203 50 0 CGAARN CC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1 ZINC000015769322 368701333 /nfs/dbraw/zinc/70/13/33/368701333.db2.gz XQWPFGREDVVCHD-SNVBAGLBSA-N 0 0 271.813 3.488 50 0 CGAARN CCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000015822806 368702525 /nfs/dbraw/zinc/70/25/25/368702525.db2.gz MSGQBTBRMGGHFY-UHFFFAOYSA-N 0 0 274.707 3.384 50 0 CGAARN O=C(CCc1ccc(-c2ccccc2)o1)NC[C@H]1CCCO1 ZINC000015867444 368704258 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Cc1cc(C)n(C(=O)c2ccc(C)c(Br)c2)n1 ZINC000000038598 368274682 /nfs/dbraw/zinc/27/46/82/368274682.db2.gz OGQYSDBPQYKQTK-UHFFFAOYSA-N 0 0 293.164 3.259 50 0 CGAARN COCc1cc(C)nc2oc(C(=O)c3ccccc3)c(N)c21 ZINC000000036801 368274727 /nfs/dbraw/zinc/27/47/27/368274727.db2.gz HXPUPSQXVXFINM-UHFFFAOYSA-N 0 0 296.326 3.096 50 0 CGAARN Cc1c([C@@H](C)O)oc2ccc3c(C)cc(=O)oc3c12 ZINC000000053187 368278743 /nfs/dbraw/zinc/27/87/43/368278743.db2.gz OTKNKZQGVVEVLP-SECBINFHSA-N 0 0 258.273 3.209 50 0 CGAARN COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1 ZINC000000057683 368279375 /nfs/dbraw/zinc/27/93/75/368279375.db2.gz IIBBFGMVMNZMGA-UHFFFAOYSA-N 0 0 268.268 3.174 50 0 biogenic CGAARN CCc1c(C)c(C(=O)OCc2ccccc2)[nH]c1C=O ZINC000000076530 368282367 /nfs/dbraw/zinc/28/23/67/368282367.db2.gz XVXYAGCYQBAFHM-UHFFFAOYSA-N 0 0 271.316 3.055 50 0 CGAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCCCC1 ZINC000000074518 368282810 /nfs/dbraw/zinc/28/28/10/368282810.db2.gz NQGFJWAVGAGVQF-UHFFFAOYSA-N 0 0 294.203 3.168 50 0 CGAARN COc1ccc(NC(=O)c2c(N)sc3c2CCC3)cc1 ZINC000000071531 368283048 /nfs/dbraw/zinc/28/30/48/368283048.db2.gz BDNAYJJPTCRZFM-UHFFFAOYSA-N 0 0 288.372 3.080 50 0 CGAARN O=S(=O)(NC1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000000074569 368283219 /nfs/dbraw/zinc/28/32/19/368283219.db2.gz LDFMPYYENCBDRC-UHFFFAOYSA-N 0 0 291.775 3.090 50 0 CGAARN O=C(COc1ccc(Cl)cc1)N1CCCCCC1 ZINC000000082805 368284238 /nfs/dbraw/zinc/28/42/38/368284238.db2.gz ZZCQKSAABYQJLD-UHFFFAOYSA-N 0 0 267.756 3.121 50 0 CGAARN CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(C)=O)c12 ZINC000000082584 368284385 /nfs/dbraw/zinc/28/43/85/368284385.db2.gz WBHWJTKSRIWMKN-LLVKDONJSA-N 0 0 274.316 3.020 50 0 CGAARN Nc1ccccc1SCc1cn2ccccc2n1 ZINC000000078772 368284402 /nfs/dbraw/zinc/28/44/02/368284402.db2.gz LBAYFKVBSOPXGC-UHFFFAOYSA-N 0 0 255.346 3.209 50 0 CGAARN COc1ccc([C@H](O)c2nccc3ccccc32)cc1 ZINC000000090312 368286760 /nfs/dbraw/zinc/28/67/60/368286760.db2.gz DGZKFYKSDDZNSG-KRWDZBQOSA-N 0 0 265.312 3.325 50 0 CGAARN O=c1[nH]c2ccccc2n1Cc1ccccc1Cl 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O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1F ZINC000000288022 368333482 /nfs/dbraw/zinc/33/34/82/368333482.db2.gz WBWWNPAYNJUAGW-ZROIWOOFSA-N 0 0 285.249 3.309 50 0 CGAARN CCOc1ccc(C(=O)NC2CCCC2)cc1Cl ZINC000000307104 368338304 /nfs/dbraw/zinc/33/83/04/368338304.db2.gz HJNMJGUQIISICB-UHFFFAOYSA-N 0 0 267.756 3.411 50 0 CGAARN CCc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000000307733 368338532 /nfs/dbraw/zinc/33/85/32/368338532.db2.gz QRRJDRYXRMQTNF-UHFFFAOYSA-N 0 0 275.373 3.358 50 0 CGAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1C ZINC000000308325 368338717 /nfs/dbraw/zinc/33/87/17/368338717.db2.gz OLPVAMQFGBGDAP-RYUDHWBXSA-N 0 0 295.448 3.278 50 0 CGAARN CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C ZINC000000314492 368339397 /nfs/dbraw/zinc/33/93/97/368339397.db2.gz AIPGCMWCXBZZQF-UHFFFAOYSA-N 0 0 283.283 3.193 50 0 CGAARN O=S(=O)(c1cccc2cccc(Cl)c21)N1CCCC1 ZINC000000313991 368339622 /nfs/dbraw/zinc/33/96/22/368339622.db2.gz SOBHBGAYEDVFJW-UHFFFAOYSA-N 0 0 295.791 3.278 50 0 CGAARN 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Cc1cc(C)cc(NC(=S)NC(=O)Cc2ccccc2)c1 ZINC000000342141 368344622 /nfs/dbraw/zinc/34/46/22/368344622.db2.gz KEWDQYWZRLPDQA-UHFFFAOYSA-N 0 0 298.411 3.359 50 0 CGAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3)cc2)n1 ZINC000000347192 368344843 /nfs/dbraw/zinc/34/48/43/368344843.db2.gz VTMILQUFUKOKHX-UHFFFAOYSA-N 0 0 292.342 3.136 50 0 CGAARN Cn1c(SCc2ccccc2)nnc1-c1ccccn1 ZINC000000352146 368345839 /nfs/dbraw/zinc/34/58/39/368345839.db2.gz WDBJGIGOMPWKOP-UHFFFAOYSA-N 0 0 282.372 3.169 50 0 CGAARN Cc1ccccc1OCC(=O)NC1CCCCCC1 ZINC000000361001 368348261 /nfs/dbraw/zinc/34/82/61/368348261.db2.gz DIBRIWQSEYOPOC-UHFFFAOYSA-N 0 0 261.365 3.213 50 0 CGAARN Cc1ccc(CNC(=O)COc2cc(C)ccc2C)cc1 ZINC000000363217 368348596 /nfs/dbraw/zinc/34/85/96/368348596.db2.gz XLLBEOIXMRBNHA-UHFFFAOYSA-N 0 0 283.371 3.307 50 0 CGAARN CC(C)OC(=O)c1ccc(-c2ccc(CO)o2)cc1 ZINC000000360899 368348742 /nfs/dbraw/zinc/34/87/42/368348742.db2.gz CELFMHMZYVXKOX-UHFFFAOYSA-N 0 0 260.289 3.004 50 0 CGAARN COc1ccccc1C(=O)Nc1cccc2cccnc21 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N=c1oc2cc(O)ccc2cc1C(=O)Nc1ccc(F)cc1 ZINC000004141653 368533863 /nfs/dbraw/zinc/53/38/63/368533863.db2.gz YKZFLOSHBXMUDM-UHFFFAOYSA-N 0 0 298.273 3.009 50 0 CGAARN CC(=O)c1cccc(OCC(=O)Nc2ccccc2C)c1 ZINC000003499979 368510593 /nfs/dbraw/zinc/51/05/93/368510593.db2.gz AFVIXQQGPCWQCJ-UHFFFAOYSA-N 0 0 283.327 3.215 50 0 CGAARN CSc1ccc(COC(=O)c2cccc(O)c2)cc1 ZINC000003565160 368513813 /nfs/dbraw/zinc/51/38/13/368513813.db2.gz MHDGYIKXXKTEKM-UHFFFAOYSA-N 0 0 274.341 3.471 50 0 CGAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000003607459 368514990 /nfs/dbraw/zinc/51/49/90/368514990.db2.gz KGUSGWWGTIXROK-GFCCVEGCSA-N 0 0 289.762 3.424 50 0 CGAARN O=C(Nc1cc(F)ccc1F)c1ccccc1F ZINC000003611343 368516020 /nfs/dbraw/zinc/51/60/20/368516020.db2.gz PTYNUUHSBNFFRC-UHFFFAOYSA-N 0 0 251.207 3.356 50 0 CGAARN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000003749692 368519305 /nfs/dbraw/zinc/51/93/05/368519305.db2.gz ZGWCSAWHNFXYIN-AWEZNQCLSA-N 0 0 275.392 3.281 50 0 CGAARN COC(=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000004742271 368556506 /nfs/dbraw/zinc/55/65/06/368556506.db2.gz PTZWYJMXXVHBHQ-UHFFFAOYSA-N 0 0 261.346 3.204 50 0 CGAARN Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1C ZINC000004691218 368556933 /nfs/dbraw/zinc/55/69/33/368556933.db2.gz ZNNGSUPKOBRULA-UHFFFAOYSA-N 0 0 271.335 3.415 50 0 biogenic CGAARN CCc1cc2c(ncnc2N2CCC[C@H](C)C2)s1 ZINC000005482899 368562671 /nfs/dbraw/zinc/56/26/71/368562671.db2.gz HHEWDDHTUCJZNI-JTQLQIEISA-N 0 0 261.394 3.490 50 0 CGAARN CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1 ZINC000004164257 368535253 /nfs/dbraw/zinc/53/52/53/368535253.db2.gz RNAULBNLZRFBIR-UHFFFAOYSA-N 0 0 276.752 3.167 50 0 CGAARN CCc1nnc(NC(=O)[C@H](C)Sc2ccccc2)s1 ZINC000004174465 368535385 /nfs/dbraw/zinc/53/53/85/368535385.db2.gz DGSZRNCICNYLEZ-VIFPVBQESA-N 0 0 293.417 3.220 50 0 CGAARN FC(F)(F)c1nc2c(cccc2Br)[nH]1 ZINC000005425402 368562808 /nfs/dbraw/zinc/56/28/08/368562808.db2.gz MWSWJWXZVTVPEQ-UHFFFAOYSA-N 0 0 265.032 3.344 50 0 CGAARN CCOC(=O)Cc1csc(Nc2ccc(F)cc2)n1 ZINC000004290632 368540734 /nfs/dbraw/zinc/54/07/34/368540734.db2.gz PQXBICWYNCLJFE-UHFFFAOYSA-N 0 0 280.324 3.131 50 0 CGAARN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccs1 ZINC000004302218 368542510 /nfs/dbraw/zinc/54/25/10/368542510.db2.gz JXXNJWVHOQNTHA-CQSZACIVSA-N 0 0 270.357 3.446 50 0 CGAARN CSc1cccc(NC(=O)Cn2cnc3ccccc32)c1 ZINC000004418070 368546080 /nfs/dbraw/zinc/54/60/80/368546080.db2.gz FLYVKHVPTJSVTR-UHFFFAOYSA-N 0 0 297.383 3.397 50 0 CGAARN COc1cc2c(c(OC)c1)[C@@H](c1ccc(C)cc1)CC(=O)N2 ZINC000004489014 368547569 /nfs/dbraw/zinc/54/75/69/368547569.db2.gz IDNVRCOCOQZGMI-CQSZACIVSA-N 0 0 297.354 3.486 50 0 CGAARN CNc1nc(Nc2ccc(F)c(Cl)c2)ncc1F ZINC000004502412 368548421 /nfs/dbraw/zinc/54/84/21/368548421.db2.gz FTPMFNOIJBGLGP-UHFFFAOYSA-N 0 0 270.670 3.194 50 0 CGAARN Cc1ccccc1C1=N/C(=C\c2ccccc2)C(=O)O1 ZINC000004507742 368548684 /nfs/dbraw/zinc/54/86/84/368548684.db2.gz ITVUFPGYEABBFM-PTNGSMBKSA-N 0 0 263.296 3.340 50 0 CGAARN CCc1ccccc1NC(=O)COc1cccc(OC)c1 ZINC000004542002 368549778 /nfs/dbraw/zinc/54/97/78/368549778.db2.gz FIBFQKXFYNRTCT-UHFFFAOYSA-N 0 0 285.343 3.275 50 0 CGAARN O[C@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21 ZINC000004552251 368550698 /nfs/dbraw/zinc/55/06/98/368550698.db2.gz RXDGKDABIKRSEL-MRXNPFEDSA-N 0 0 282.730 3.259 50 0 CGAARN CCCN1c2ccc(NC(=O)C(C)(C)C)cc2CCC1=O ZINC000008736805 368575239 /nfs/dbraw/zinc/57/52/39/368575239.db2.gz PUMDSCPMKWVSQB-UHFFFAOYSA-N 0 0 288.391 3.360 50 0 CGAARN Cc1ccc(NC(=O)N[C@@H](C)c2cccnc2)cc1 ZINC000010262220 368578667 /nfs/dbraw/zinc/57/86/67/368578667.db2.gz NWFMROBHFDCXRI-LBPRGKRZSA-N 0 0 255.321 3.273 50 0 CGAARN CCNC(=O)N1CCC[C@H](CCc2ccccc2)C1 ZINC000011842830 368597098 /nfs/dbraw/zinc/59/70/98/368597098.db2.gz GVWUXVPHCPPUAC-OAHLLOKOSA-N 0 0 260.381 3.061 50 0 CGAARN Cc1nn(C)c(C)c1CCC(=O)Nc1cc(C)ccc1C ZINC000010506481 368583601 /nfs/dbraw/zinc/58/36/01/368583601.db2.gz PHBVIYSXGICSIF-UHFFFAOYSA-N 0 0 285.391 3.225 50 0 CGAARN O=C(Nc1ccccc1)c1ccc(Cn2cccn2)cc1 ZINC000010641787 368584620 /nfs/dbraw/zinc/58/46/20/368584620.db2.gz BBFDSASANWBGQN-UHFFFAOYSA-N 0 0 277.327 3.184 50 0 CGAARN O=C(CCc1ccc(Cl)cc1)Nc1cccnc1 ZINC000010742134 368586798 /nfs/dbraw/zinc/58/67/98/368586798.db2.gz SCXJMMPZUAGFJQ-UHFFFAOYSA-N 0 0 260.724 3.306 50 0 CGAARN Cc1c2cc(C)ccc2oc1C(=O)NCC1CCOCC1 ZINC000011838413 368597496 /nfs/dbraw/zinc/59/74/96/368597496.db2.gz WAUDWMKNRYNKBY-UHFFFAOYSA-N 0 0 287.359 3.206 50 0 CGAARN C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccco1 ZINC000011669205 368594458 /nfs/dbraw/zinc/59/44/58/368594458.db2.gz PWOUOXQKZPTZOY-ZDUSSCGKSA-N 0 0 295.342 3.015 50 0 CGAARN Cc1ccc(-c2nc(N(C)CCO)nc3ccccc32)cc1 ZINC000011692705 368594468 /nfs/dbraw/zinc/59/44/68/368594468.db2.gz VWHSSNCVZDBMIM-UHFFFAOYSA-N 0 0 293.370 3.034 50 0 CGAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)cc1 ZINC000006495014 368567593 /nfs/dbraw/zinc/56/75/93/368567593.db2.gz LTBUKJGHFZWTRR-UHFFFAOYSA-N 0 0 279.752 3.321 50 0 CGAARN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccco1 ZINC000011913751 368599237 /nfs/dbraw/zinc/59/92/37/368599237.db2.gz UBYVJHVGRQGCBR-UHFFFAOYSA-N 0 0 289.291 3.190 50 0 CGAARN Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 ZINC000011920575 368599511 /nfs/dbraw/zinc/59/95/11/368599511.db2.gz LKRKUIXRGFLWSX-UHFFFAOYSA-N 0 0 255.252 3.125 50 0 CGAARN O=C(NCC1(c2ccccc2)CCCC1)c1ccncc1 ZINC000012101260 368604177 /nfs/dbraw/zinc/60/41/77/368604177.db2.gz DYXIONDENSZJMZ-UHFFFAOYSA-N 0 0 280.371 3.323 50 0 CGAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000012138563 368605143 /nfs/dbraw/zinc/60/51/43/368605143.db2.gz IZTIAFOLYBWBJS-NSHDSACASA-N 0 0 276.380 3.200 50 0 CGAARN CSCc1csc(NC(=O)COc2ccccc2)n1 ZINC000012230134 368606887 /nfs/dbraw/zinc/60/68/87/368606887.db2.gz MNUNTUFERBHHNO-UHFFFAOYSA-N 0 0 294.401 3.024 50 0 CGAARN COc1ccc(NC(=O)Cc2ccc(C)cc2)c(C)c1 ZINC000013736817 368665014 /nfs/dbraw/zinc/66/50/14/368665014.db2.gz KAFZFRUHJFBESX-UHFFFAOYSA-N 0 0 269.344 3.493 50 0 CGAARN CCCc1noc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000012359813 368609376 /nfs/dbraw/zinc/60/93/76/368609376.db2.gz NLEBEMVAMPWQOL-NSHDSACASA-N 0 0 295.383 3.137 50 0 CGAARN CC(C)(C)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000012381291 368610608 /nfs/dbraw/zinc/61/06/08/368610608.db2.gz RQGBAELGCDQDSK-UHFFFAOYSA-N 0 0 294.826 3.030 50 0 CGAARN C[C@H](Oc1ccc(F)cc1F)C(=O)NCc1ccccc1 ZINC000012380687 368610831 /nfs/dbraw/zinc/61/08/31/368610831.db2.gz WEXWEURSOAXIMH-NSHDSACASA-N 0 0 291.297 3.049 50 0 CGAARN COc1ccccc1O[C@H](C)C(=O)NC1CCCCCC1 ZINC000012380598 368610894 /nfs/dbraw/zinc/61/08/94/368610894.db2.gz JMVSLOSOWKITTB-CYBMUJFWSA-N 0 0 291.391 3.302 50 0 CGAARN Cc1csc(NC(=O)c2ccc(COC(C)C)o2)n1 ZINC000012421895 368613698 /nfs/dbraw/zinc/61/36/98/368613698.db2.gz JYDVDPASNMOVKW-UHFFFAOYSA-N 0 0 280.349 3.222 50 0 CGAARN COc1cccc(-c2n[nH]c(=S)n2Cc2ccco2)c1 ZINC000012483925 368614770 /nfs/dbraw/zinc/61/47/70/368614770.db2.gz FOCPCOHDBPAWSX-UHFFFAOYSA-N 0 0 287.344 3.258 50 0 CGAARN Cc1cc(C(=O)CCC(=O)Nc2cccnc2)c(C)s1 ZINC000012522787 368615774 /nfs/dbraw/zinc/61/57/74/368615774.db2.gz MBAMTNVLDSRIIY-UHFFFAOYSA-N 0 0 288.372 3.362 50 0 CGAARN CC(=O)c1cccc(N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000012536511 368617079 /nfs/dbraw/zinc/61/70/79/368617079.db2.gz RAWQADJSOBTDQA-CYBMUJFWSA-N 0 0 296.370 3.006 50 0 CGAARN CCCC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000012540802 368618518 /nfs/dbraw/zinc/61/85/18/368618518.db2.gz CAKMXWLAVQSZQY-ZDUSSCGKSA-N 0 0 291.420 3.273 50 0 CGAARN CCOc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1 ZINC000013744677 368665667 /nfs/dbraw/zinc/66/56/67/368665667.db2.gz MZFJLJQHBDXNCH-LBPRGKRZSA-N 0 0 285.347 3.363 50 0 CGAARN C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccn1 ZINC000012553163 368619856 /nfs/dbraw/zinc/61/98/56/368619856.db2.gz GGKCKQIUNJCXGO-CYBMUJFWSA-N 0 0 293.370 3.373 50 0 CGAARN CC[C@@H](Nc1cc(C)cc(C)c1)C(=O)Nc1cc(C)on1 ZINC000012555045 368620063 /nfs/dbraw/zinc/62/00/63/368620063.db2.gz IZHIXKNVLYFBJO-CQSZACIVSA-N 0 0 287.363 3.429 50 0 CGAARN Nn1c2ccccc2nc1SCc1ccccc1 ZINC000012561342 368620083 /nfs/dbraw/zinc/62/00/83/368620083.db2.gz KXBZSMVDOKIKKL-UHFFFAOYSA-N 0 0 255.346 3.042 50 0 CGAARN O=C(CCc1ccco1)NCc1ccc(Cl)cc1 ZINC000012599509 368621356 /nfs/dbraw/zinc/62/13/56/368621356.db2.gz HIPDVTNGYQJBHB-UHFFFAOYSA-N 0 0 263.724 3.182 50 0 CGAARN CC(=O)c1cccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 ZINC000012732020 368624082 /nfs/dbraw/zinc/62/40/82/368624082.db2.gz CZBQADJUOUAJOD-GFCCVEGCSA-N 0 0 286.158 3.412 50 0 CGAARN CC(=O)c1ccc(NC(=O)CSc2ccncc2)cc1 ZINC000012731499 368624478 /nfs/dbraw/zinc/62/44/78/368624478.db2.gz PAYZZLRPWSVCFQ-UHFFFAOYSA-N 0 0 286.356 3.015 50 0 CGAARN c1cc(-c2noc(CSc3ccccn3)n2)cs1 ZINC000012824087 368629042 /nfs/dbraw/zinc/62/90/42/368629042.db2.gz AAXQHNDVJAKQSG-UHFFFAOYSA-N 0 0 275.358 3.485 50 0 CGAARN O=C(CC[C@@H](O)c1cccs1)NCc1ccccc1F ZINC000012817138 368629195 /nfs/dbraw/zinc/62/91/95/368629195.db2.gz NARFXFCTACXYFM-CYBMUJFWSA-N 0 0 293.363 3.017 50 0 CGAARN C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(F)cc1 ZINC000012812657 368629422 /nfs/dbraw/zinc/62/94/22/368629422.db2.gz KEMOQZYBFNYUDW-SMDDNHRTSA-N 0 0 264.344 3.204 50 0 CGAARN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1cccn1 ZINC000012850638 368629846 /nfs/dbraw/zinc/62/98/46/368629846.db2.gz HAWBVZPOSKPSPU-SECBINFHSA-N 0 0 283.253 3.102 50 0 CGAARN Cc1nc2cc(NC(=O)c3cccc4c[nH]nc43)ccc2o1 ZINC000012868864 368630584 /nfs/dbraw/zinc/63/05/84/368630584.db2.gz RPYHEPAUBLKEHP-UHFFFAOYSA-N 0 0 292.298 3.265 50 0 CGAARN C[C@@H]1CCCCN1C(=O)Cc1cc(-c2ccccc2)on1 ZINC000012861160 368630638 /nfs/dbraw/zinc/63/06/38/368630638.db2.gz BQMHQQMWULKDRF-CYBMUJFWSA-N 0 0 284.359 3.285 50 0 CGAARN C[C@H]1CCCCN1C(=O)Cc1cc(-c2ccccc2)on1 ZINC000012861167 368630873 /nfs/dbraw/zinc/63/08/73/368630873.db2.gz BQMHQQMWULKDRF-ZDUSSCGKSA-N 0 0 284.359 3.285 50 0 CGAARN O=C(C[C@H]1C=CCC1)NCCc1c[nH]c2ccccc12 ZINC000012874193 368631058 /nfs/dbraw/zinc/63/10/58/368631058.db2.gz KLNUZQLWUKKGGG-ZDUSSCGKSA-N 0 0 268.360 3.183 50 0 CGAARN CC(=O)c1c(C)[nH]c(C(=O)N(C)CC2CCCCC2)c1C ZINC000012888307 368632439 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/nfs/dbraw/zinc/30/14/38/368301438.db2.gz GYLHPGWBBVFFOZ-UHFFFAOYSA-N 0 0 288.253 3.034 50 0 CGAARN Cn1cnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000000148081 368302310 /nfs/dbraw/zinc/30/23/10/368302310.db2.gz PVANPBMCYPFTCV-VIFPVBQESA-N 0 0 276.405 3.146 50 0 CGAARN O=C1CCN(Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000000152593 368303884 /nfs/dbraw/zinc/30/38/84/368303884.db2.gz JUUNERSMSBAWFF-UHFFFAOYSA-N 0 0 280.327 3.046 50 0 CGAARN Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000000155918 368304854 /nfs/dbraw/zinc/30/48/54/368304854.db2.gz PLUSSGYLUOYEOX-CQSZACIVSA-N 0 0 285.347 3.054 50 0 CGAARN CCOc1ccc(NC(=O)CSc2ccccn2)cc1 ZINC000000244484 368324133 /nfs/dbraw/zinc/32/41/33/368324133.db2.gz NRXCSOLXABYNQO-UHFFFAOYSA-N 0 0 288.372 3.211 50 0 CGAARN Cc1nn(C)c(C)c1Sc1nccc(-c2cccnc2)n1 ZINC000000172588 368309649 /nfs/dbraw/zinc/30/96/49/368309649.db2.gz BFRDTYPCCVKMPH-UHFFFAOYSA-N 0 0 297.387 3.040 50 0 CGAARN COc1ccc(CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000000246205 368324310 /nfs/dbraw/zinc/32/43/10/368324310.db2.gz BBAUCSKGEHMZGV-UHFFFAOYSA-N 0 0 269.344 3.493 50 0 biogenic CGAARN CCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1 ZINC000000191092 368312317 /nfs/dbraw/zinc/31/23/17/368312317.db2.gz ANHRSXCHGXZVHX-VMPITWQZSA-N 0 0 274.345 3.194 50 0 CGAARN O=C(COc1ccc(F)cc1F)Nc1ccc(F)cc1 ZINC000000191592 368313198 /nfs/dbraw/zinc/31/31/98/368313198.db2.gz NIKFSXLMWOYMRK-UHFFFAOYSA-N 0 0 281.233 3.121 50 0 CGAARN CC(=O)c1cccc(NC(=O)Cc2cccs2)c1 ZINC000000438522 368366630 /nfs/dbraw/zinc/36/66/30/368366630.db2.gz RTOCXMYDWNDHFW-UHFFFAOYSA-N 0 0 259.330 3.132 50 0 CGAARN Cc1ccccc1OCc1nc(-c2cccnc2)no1 ZINC000000442620 368367848 /nfs/dbraw/zinc/36/78/48/368367848.db2.gz GVGSZMQJNKGSJY-UHFFFAOYSA-N 0 0 267.288 3.019 50 0 CGAARN CCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000000442147 368367999 /nfs/dbraw/zinc/36/79/99/368367999.db2.gz XYJGSSXJRZTONS-UHFFFAOYSA-N 0 0 298.342 3.296 50 0 CGAARN Cc1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 ZINC000000451142 368369029 /nfs/dbraw/zinc/36/90/29/368369029.db2.gz DFPWRWSTKBZPES-UHFFFAOYSA-N 0 0 269.344 3.032 50 0 CGAARN O=C(Nc1ccccc1Br)c1ccncc1 ZINC000000453138 368370253 /nfs/dbraw/zinc/37/02/53/368370253.db2.gz MEGGLDYOLRNAOP-UHFFFAOYSA-N 0 0 277.121 3.096 50 0 CGAARN O=C(NCc1ccccn1)Nc1cccc(Cl)c1 ZINC000000253754 368325583 /nfs/dbraw/zinc/32/55/83/368325583.db2.gz CONGVSIUCCCFKA-UHFFFAOYSA-N 0 0 261.712 3.057 50 0 CGAARN Cc1sc2c(ccc3ccccc23)[n+]1CCC(=O)[O-] ZINC000000264522 368328070 /nfs/dbraw/zinc/32/80/70/368328070.db2.gz MZZJWTXDVZOPGV-UHFFFAOYSA-O 0 0 272.349 3.125 50 0 CGAARN COc1ccc(NCc2ccc(OC)c(OC)c2)cc1 ZINC000000280059 368331849 /nfs/dbraw/zinc/33/18/49/368331849.db2.gz LCTVDNZJKCOONX-UHFFFAOYSA-N 0 0 273.332 3.325 50 0 CGAARN COc1ccc(NC(=O)Nc2ccc(C)cn2)cc1 ZINC000000291250 368334863 /nfs/dbraw/zinc/33/48/63/368334863.db2.gz SOOPORCIIOYKQY-UHFFFAOYSA-N 0 0 257.293 3.043 50 0 CGAARN O=C(/C=C/c1ccccc1)NCCc1ccccc1 ZINC000000299667 368336111 /nfs/dbraw/zinc/33/61/11/368336111.db2.gz 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FGURRCYDLTYTJQ-UHFFFAOYSA-N 0 0 263.300 3.255 50 0 CGAARN COc1ccc(-c2cc(=O)oc3cc(OC)ccc32)cc1 ZINC000000462530 368372107 /nfs/dbraw/zinc/37/21/07/368372107.db2.gz OLCZQQVEYPSHCH-UHFFFAOYSA-N 0 0 282.295 3.477 50 0 biogenic CGAARN COc1ccccc1NC(=O)COc1ccccc1C ZINC000000349229 368345678 /nfs/dbraw/zinc/34/56/78/368345678.db2.gz CFGYDHCLNQXSMN-UHFFFAOYSA-N 0 0 271.316 3.021 50 0 CGAARN Cc1ccn2cc(-c3cc4ccccc4oc3=O)nc2c1 ZINC000000354181 368346642 /nfs/dbraw/zinc/34/66/42/368346642.db2.gz BJYYHHKSGZGCMU-UHFFFAOYSA-N 0 0 276.295 3.416 50 0 CGAARN Cc1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000000364572 368349490 /nfs/dbraw/zinc/34/94/90/368349490.db2.gz AMJDGDOFCGXOIR-ZDUSSCGKSA-N 0 0 261.365 3.211 50 0 CGAARN Cc1ccc(C)c(OCc2nc(-c3ccncc3)no2)c1 ZINC000000376909 368352873 /nfs/dbraw/zinc/35/28/73/368352873.db2.gz FMVFWGAIQDFXJM-UHFFFAOYSA-N 0 0 281.315 3.327 50 0 CGAARN CCC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000376626 368353315 /nfs/dbraw/zinc/35/33/15/368353315.db2.gz NHCOBFDASTXRIS-UHFFFAOYSA-N 0 0 296.219 3.460 50 0 CGAARN Cc1cc(=O)oc2cc(OC(=O)c3ccccc3F)ccc12 ZINC000000383623 368353823 /nfs/dbraw/zinc/35/38/23/368353823.db2.gz PZKQUFNTPHREDP-UHFFFAOYSA-N 0 0 298.269 3.460 50 0 CGAARN COc1ccccc1NC(=O)N(C(C)C)C(C)C ZINC000000396197 368356448 /nfs/dbraw/zinc/35/64/48/368356448.db2.gz LWCYSHFKNNLRDW-UHFFFAOYSA-N 0 0 250.342 3.346 50 0 CGAARN Cc1ccc(NC(=O)OCc2ccc3c(c2)OCO3)cc1 ZINC000000397321 368357470 /nfs/dbraw/zinc/35/74/70/368357470.db2.gz IHTIOXOEYJHGRH-UHFFFAOYSA-N 0 0 285.299 3.472 50 0 CGAARN COc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000467245 368373077 /nfs/dbraw/zinc/37/30/77/368373077.db2.gz YVPTYIIHLFPZDT-UHFFFAOYSA-N 0 0 254.211 3.171 50 0 CGAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000000401497 368358558 /nfs/dbraw/zinc/35/85/58/368358558.db2.gz ZEURMJNVUKYIFB-UHFFFAOYSA-N 0 0 261.346 3.104 50 0 CGAARN Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000409060 368360340 /nfs/dbraw/zinc/36/03/40/368360340.db2.gz GPLXRIVINNIQFY-UHFFFAOYSA-N 0 0 261.346 3.104 50 0 CGAARN Cc1cc(Nc2cccc(Cl)c2Cl)n2ncnc2n1 ZINC000000806641 368396723 /nfs/dbraw/zinc/39/67/23/368396723.db2.gz WZEXABQCGTUROC-UHFFFAOYSA-N 0 0 294.145 3.483 50 0 CGAARN COc1ccc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000000852536 368396730 /nfs/dbraw/zinc/39/67/30/368396730.db2.gz GLRQRYIXJVTVQV-UHFFFAOYSA-N 0 0 286.356 3.277 50 0 CGAARN Cc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000000878086 368397234 /nfs/dbraw/zinc/39/72/34/368397234.db2.gz PFDQDILQTZSBPI-UHFFFAOYSA-N 0 0 269.300 3.019 50 0 CGAARN Nc1ccc(NC(=O)c2ccccc2)c(Br)c1 ZINC000000873905 368397932 /nfs/dbraw/zinc/39/79/32/368397932.db2.gz BHHSEFHSAALKIY-UHFFFAOYSA-N 0 0 291.148 3.284 50 0 CGAARN CC[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1C ZINC000000475069 368375432 /nfs/dbraw/zinc/37/54/32/368375432.db2.gz NRSYXPSNYPQSDX-ZFWWWQNUSA-N 0 0 261.365 3.245 50 0 CGAARN CCn1cc(CNC(=O)Nc2cccc(Cl)c2)c(C)n1 ZINC000000474390 368375734 /nfs/dbraw/zinc/37/57/34/368375734.db2.gz LOXGEUUAPQIHMH-UHFFFAOYSA-N 0 0 292.770 3.187 50 0 CGAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000000479549 368376356 /nfs/dbraw/zinc/37/63/56/368376356.db2.gz AUBBHUDCWWVVHK-UHFFFAOYSA-N 0 0 295.335 3.025 50 0 CGAARN O=c1c2sc(-c3ccccc3)cc2nc2n1CCC2 ZINC000000478576 368377166 /nfs/dbraw/zinc/37/71/66/368377166.db2.gz ZDLCYTDOPMUUEJ-UHFFFAOYSA-N 0 0 268.341 3.071 50 0 CGAARN Cc1ccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000001002657 368399352 /nfs/dbraw/zinc/39/93/52/368399352.db2.gz NWGKROPIFYSCJY-CYBMUJFWSA-N 0 0 287.334 3.218 50 0 CGAARN COc1ccccc1C(=O)Oc1cc(=O)oc2ccccc12 ZINC000000488251 368379012 /nfs/dbraw/zinc/37/90/12/368379012.db2.gz QUHACAMVVRZEIF-UHFFFAOYSA-N 0 0 296.278 3.021 50 0 biogenic CGAARN COc1ccc(/C=C/C(=O)NC2CCCCC2)cc1OC ZINC000000496626 368380011 /nfs/dbraw/zinc/38/00/11/368380011.db2.gz CAPNRRXYOGKWSD-PKNBQFBNSA-N 0 0 289.375 3.166 50 0 CGAARN CCC(=O)N=c1[nH]c2ccccc2n1Cc1ccccc1C ZINC000000499294 368380352 /nfs/dbraw/zinc/38/03/52/368380352.db2.gz YMWNYFZFKMQXSO-UHFFFAOYSA-N 0 0 293.370 3.163 50 0 CGAARN COc1ccc(O[C@@H](C)C(=O)NC2CCCCCC2)cc1 ZINC000000514523 368381282 /nfs/dbraw/zinc/38/12/82/368381282.db2.gz LQTRAXHQJZFENQ-ZDUSSCGKSA-N 0 0 291.391 3.302 50 0 CGAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccc(O)cc3)[C@@H]1[C@@H]2C ZINC000000519452 368382272 /nfs/dbraw/zinc/38/22/72/368382272.db2.gz DTZWKYVREFMAJA-WIHIRCLASA-N 0 0 288.387 3.291 50 0 biogenic CGAARN CC(=O)Oc1ccc2c(C)c(CC(C)C)c(=O)oc2c1 ZINC000000518901 368382277 /nfs/dbraw/zinc/38/22/77/368382277.db2.gz FFEVKWAHGOZWDC-UHFFFAOYSA-N 0 0 274.316 3.225 50 0 biogenic CGAARN Cc1ccc(CSc2nnc([C@@H](N)C(C)C)o2)cc1 ZINC000000527025 368383549 /nfs/dbraw/zinc/38/35/49/368383549.db2.gz CDNPWFHTWZYMAS-LBPRGKRZSA-N 0 0 277.393 3.326 50 0 CGAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CC3)cc12 ZINC000000541867 368385040 /nfs/dbraw/zinc/38/50/40/368385040.db2.gz RVIPGMCDIBEWAQ-UHFFFAOYSA-N 0 0 297.383 3.288 50 0 CGAARN O=C(NCc1ccco1)c1cc(Cl)nc2ccccc21 ZINC000000550142 368386354 /nfs/dbraw/zinc/38/63/54/368386354.db2.gz JKFJQASDZTXISE-UHFFFAOYSA-N 0 0 286.718 3.411 50 0 CGAARN COc1ccc2oc(-c3ccc(C)c(N)c3)nc2c1 ZINC000000556355 368387348 /nfs/dbraw/zinc/38/73/48/368387348.db2.gz MTIYMVGYLBXXLY-UHFFFAOYSA-N 0 0 254.289 3.394 50 0 biogenic CGAARN CC(C)CC(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000000556521 368387813 /nfs/dbraw/zinc/38/78/13/368387813.db2.gz DGHAKDNAHKNYMV-UHFFFAOYSA-N 0 0 296.798 3.161 50 0 CGAARN O=C(/C=C/c1ccco1)Nc1cccc2ncccc21 ZINC000000556554 368387904 /nfs/dbraw/zinc/38/79/04/368387904.db2.gz GVMRFAHXPQMEIP-CMDGGOBGSA-N 0 0 264.284 3.480 50 0 CGAARN Cc1ccc(-c2nnc3sc(-c4cccnc4)nn32)cc1 ZINC000001016485 368399832 /nfs/dbraw/zinc/39/98/32/368399832.db2.gz DXOZSNYWNOVPNU-UHFFFAOYSA-N 0 0 293.355 3.223 50 0 CGAARN O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1 ZINC000000608438 368390824 /nfs/dbraw/zinc/39/08/24/368390824.db2.gz ATVBYVGXCZDJRZ-UHFFFAOYSA-N 0 0 289.718 3.170 50 0 CGAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000000618024 368392337 /nfs/dbraw/zinc/39/23/37/368392337.db2.gz WZZSOQXHLDAKES-NSHDSACASA-N 0 0 286.331 3.060 50 0 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391909384 /nfs/dbraw/zinc/90/93/84/391909384.db2.gz FXLXTCDBYDBSMB-SNVBAGLBSA-N 0 0 250.685 3.242 50 0 CGAARN Cc1c(=O)oc2cc(O)ccc2c1-c1ccccc1 ZINC000001081555 391911949 /nfs/dbraw/zinc/91/19/49/391911949.db2.gz JILNSPBYFPSJRO-UHFFFAOYSA-N 0 0 252.269 3.474 50 0 CGAARN BrC1(Br)[C@@H]2CCCC[C@@H]21 ZINC000001683052 391913605 /nfs/dbraw/zinc/91/36/05/391913605.db2.gz IFLNHZYJRFDRRU-OLQVQODUSA-N 0 0 253.965 3.293 50 0 CGAARN Brc1ccc2nc(Br)ncc2c1 ZINC000002598955 391915726 /nfs/dbraw/zinc/91/57/26/391915726.db2.gz NAARTNANGRCYIZ-UHFFFAOYSA-N 0 0 287.942 3.155 50 0 CGAARN Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](C)O)[C@H]3CCC1 ZINC000003999260 391919434 /nfs/dbraw/zinc/91/94/34/391919434.db2.gz DEOZQAROUMJIFA-DYVFJYSZSA-N 0 0 284.403 3.024 50 0 biogenic CGAARN Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1F ZINC000004218652 391920238 /nfs/dbraw/zinc/92/02/38/391920238.db2.gz UMSZYHGSMGLATF-UHFFFAOYSA-N 0 0 286.331 3.496 50 0 CGAARN Cc1ccc([C@H]2C=NN(c3ccccc3)C2=O)cc1 ZINC000004649170 391920973 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/nfs/dbraw/zinc/04/09/04/292040904.db2.gz LXQUVAGTJLRSSY-FJVVXJACSA-N 0 0 280.371 3.413 50 0 CGAARN C[C@H](c1ccccc1)n1c2ccccc2nc1[C@H](C)NC=O ZINC000004809841 299651657 /nfs/dbraw/zinc/65/16/57/299651657.db2.gz ZGGBCSNJQAJQGI-UONOGXRCSA-N 0 0 293.370 3.453 50 0 CGAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2C)s1 ZINC000030267169 292065667 /nfs/dbraw/zinc/06/56/67/292065667.db2.gz MOPPFXMLTDYGJR-NSHDSACASA-N 0 0 260.362 3.075 50 0 CGAARN COCc1nc(CCc2ccccc2F)n(C(C)(C)C)n1 ZINC000670444055 543154458 /nfs/dbraw/zinc/15/44/58/543154458.db2.gz SVFXQBDCAXJDNF-UHFFFAOYSA-N 0 0 291.370 3.104 50 0 CGAARN COCCc1nc([C@H](C)Oc2ccc(Cl)cc2C)n[nH]1 ZINC000670439352 543154478 /nfs/dbraw/zinc/15/44/78/543154478.db2.gz IDVUTXGCUIMDKH-JTQLQIEISA-N 0 0 295.770 3.095 50 0 CGAARN CN(Cc1nnc(-c2ccccc2)o1)C(=O)C[C@H]1C=CCC1 ZINC000670440817 543154598 /nfs/dbraw/zinc/15/45/98/543154598.db2.gz AOOFHSDQQWZMEE-ZDUSSCGKSA-N 0 0 297.358 3.051 50 0 CGAARN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc[nH]3)[C@@H](C)CO2)c1 ZINC000172728474 292088028 /nfs/dbraw/zinc/08/80/28/292088028.db2.gz BARCIESRBNGYIN-YOEHRIQHSA-N 0 0 298.386 3.234 50 0 CGAARN O[C@@H]1/C(=C/c2ccc(Cl)cc2Cl)N2CCC1CC2 ZINC000012956354 296563131 /nfs/dbraw/zinc/56/31/31/296563131.db2.gz XAHDHBCPTITANJ-LVOZBFFPSA-N 0 0 284.186 3.421 50 0 CGAARN C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H]1C ZINC000104802410 397650775 /nfs/dbraw/zinc/65/07/75/397650775.db2.gz HTYVHHPNMFVJRN-NTZNESFSSA-N 0 0 290.363 3.362 50 0 CGAARN Cc1ccc([C@@H]2CC(c3ccco3)=Nc3ncnn32)cc1 ZINC000107172500 397652014 /nfs/dbraw/zinc/65/20/14/397652014.db2.gz BYQBGRZNIBFZQR-AWEZNQCLSA-N 0 0 278.315 3.236 50 0 CGAARN C[C@H]1CCc2[nH]nc(-c3nc(-c4ccccc4)no3)c2C1 ZINC000008992856 397603770 /nfs/dbraw/zinc/60/37/70/397603770.db2.gz LPGVOPOBHMKPLO-JTQLQIEISA-N 0 0 280.331 3.252 50 0 CGAARN Cc1csc(NC(=O)c2cn3cc(Cl)ccc3n2)n1 ZINC000012323744 397604123 /nfs/dbraw/zinc/60/41/23/397604123.db2.gz ZHQPYJPOVLZGDL-UHFFFAOYSA-N 0 0 292.751 3.005 50 0 CGAARN COCc1ccccc1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000044550517 397618799 /nfs/dbraw/zinc/61/87/99/397618799.db2.gz GOXYHCITFMLKGG-LBPRGKRZSA-N 0 0 288.174 3.355 50 0 CGAARN O=C(Nc1ccc2c(c1)OCO2)N1CC[C@@H]1c1ccccc1 ZINC000047686968 397634570 /nfs/dbraw/zinc/63/45/70/397634570.db2.gz VGMOGCRAHGXAMO-CQSZACIVSA-N 0 0 296.326 3.394 50 0 CGAARN COC(=O)Cc1cc(Cl)nc2c(C)c(F)ccc12 ZINC000675081991 543313937 /nfs/dbraw/zinc/31/39/37/543313937.db2.gz PYCJIGGGTJKJLL-UHFFFAOYSA-N 0 0 267.687 3.051 50 0 CGAARN Cc1ccc(N2N[C@@]3(CCC[C@H](C)C3)NC2=S)cc1C ZINC000000382317 292140751 /nfs/dbraw/zinc/14/07/51/292140751.db2.gz PKMDZCSFYXIMES-MEDUHNTESA-N 0 0 289.448 3.409 50 0 CGAARN O=c1[nH]c(=S)c2c(n1C1CCCCC1)CCC2 ZINC000008737547 296593631 /nfs/dbraw/zinc/59/36/31/296593631.db2.gz BPRFBBFPIYRYAB-UHFFFAOYSA-N 0 0 250.367 3.312 50 0 CGAARN c1[nH]c2ccccc2c1C1=CCC2(CC1)OCCO2 ZINC000003883847 296598330 /nfs/dbraw/zinc/59/83/30/296598330.db2.gz BOSKLOMTRITQHA-UHFFFAOYSA-N 0 0 255.317 3.478 50 0 CGAARN COc1cc2c(cc1OC)[C@H](c1ccccc1C)CC(=O)N2 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C[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000000444314 368367885 /nfs/dbraw/zinc/36/78/85/368367885.db2.gz FYNZUHNAPRBVAX-LLVKDONJSA-N 0 0 296.208 3.250 50 0 CGAARN CC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000000443451 368367898 /nfs/dbraw/zinc/36/78/98/368367898.db2.gz LJXJWIKTWHHCKR-VAWYXSNFSA-N 0 0 280.327 3.297 50 0 CGAARN O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccco2)s1 ZINC000000449658 368368569 /nfs/dbraw/zinc/36/85/69/368368569.db2.gz KDXFCUQWDMFZIN-CMDGGOBGSA-N 0 0 297.339 3.450 50 0 CGAARN S=C(Nc1ccc(Cl)cc1Cl)NC1CC1 ZINC000000452810 368370069 /nfs/dbraw/zinc/37/00/69/368370069.db2.gz ALTQCAJZDDSXQU-UHFFFAOYSA-N 0 0 261.177 3.442 50 0 CGAARN CCOC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000000455141 368370326 /nfs/dbraw/zinc/37/03/26/368370326.db2.gz IDNSKXPYNQBCAP-UHFFFAOYSA-N 0 0 293.326 3.111 50 0 CGAARN CC(C)(C)Cc1nnc(NC(=O)c2ccccc2)s1 ZINC000000249567 368325988 /nfs/dbraw/zinc/32/59/88/368325988.db2.gz DDWYIFRMAMHPLB-UHFFFAOYSA-N 0 0 275.377 3.379 50 0 CGAARN O=C(Oc1ccc2sc(=O)oc2c1)c1cccs1 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/nfs/dbraw/zinc/33/82/83/368338283.db2.gz GZXVSDDVHIIJFM-UHFFFAOYSA-N 0 0 282.409 3.036 50 0 CGAARN COc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 ZINC000000307510 368338474 /nfs/dbraw/zinc/33/84/74/368338474.db2.gz DMWFTKKYRRMNFV-UHFFFAOYSA-N 0 0 292.338 3.173 50 0 CGAARN C[C@H](NC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000000306759 368338685 /nfs/dbraw/zinc/33/86/85/368338685.db2.gz IZKTYTCJUNZBFM-LBPRGKRZSA-N 0 0 289.375 3.215 50 0 CGAARN COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000335645 368342939 /nfs/dbraw/zinc/34/29/39/368342939.db2.gz SHEBDTJYHPLAKD-UHFFFAOYSA-N 0 0 297.763 3.149 50 0 CGAARN Cc1ccc(C(=O)Nc2ccccc2CO)cc1C ZINC000000462242 368372052 /nfs/dbraw/zinc/37/20/52/368372052.db2.gz VPOHNSMNXKQZKA-UHFFFAOYSA-N 0 0 255.317 3.048 50 0 CGAARN Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(C)n2)c1 ZINC000000460810 368372109 /nfs/dbraw/zinc/37/21/09/368372109.db2.gz DMJHBMDGZDKNQR-UHFFFAOYSA-N 0 0 284.359 3.333 50 0 CGAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000000341634 368344522 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/nfs/dbraw/zinc/35/06/87/368350687.db2.gz YWWQFAXHTXUTRM-UHFFFAOYSA-N 0 0 272.300 3.231 50 0 CGAARN O=C(NCCc1cccc(Cl)c1)c1cccs1 ZINC000000376350 368351211 /nfs/dbraw/zinc/35/12/11/368351211.db2.gz RZBKSZLVZLQKTD-UHFFFAOYSA-N 0 0 265.765 3.374 50 0 CGAARN CCc1cc2c(nc(C)nc2NC[C@H]2CCCO2)s1 ZINC000000383039 368353027 /nfs/dbraw/zinc/35/30/27/368353027.db2.gz KTCVCKLOAPVDJB-SNVBAGLBSA-N 0 0 277.393 3.153 50 0 CGAARN CC(=O)Nc1ccc(NC(=O)C2CCCCC2)cc1C ZINC000000379488 368353283 /nfs/dbraw/zinc/35/32/83/368353283.db2.gz QRLBANSJFLJZLJ-UHFFFAOYSA-N 0 0 274.364 3.472 50 0 CGAARN CC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000384143 368353888 /nfs/dbraw/zinc/35/38/88/368353888.db2.gz WFIGIJDJVRRREW-UHFFFAOYSA-N 0 0 267.328 3.461 50 0 CGAARN Cc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 ZINC000000385109 368354036 /nfs/dbraw/zinc/35/40/36/368354036.db2.gz SSMCNHPZGZTEIN-UHFFFAOYSA-N 0 0 285.159 3.468 50 0 CGAARN C1CCC(O[C@@H]2CO[C@@H](OC3CCCCC3)CO2)CC1 ZINC000000390921 368355609 /nfs/dbraw/zinc/35/56/09/368355609.db2.gz FQGWGBQRBWUELL-IYBDPMFKSA-N 0 0 284.396 3.384 50 0 CGAARN CCOc1cc(Cl)c(NC(=O)CC)cc1OCC ZINC000000387912 368355691 /nfs/dbraw/zinc/35/56/91/368355691.db2.gz MGLMRPHRCHTNLX-UHFFFAOYSA-N 0 0 271.744 3.486 50 0 CGAARN Cc1cccc(C)c1NC(=O)OCc1ccncc1 ZINC000000392502 368356614 /nfs/dbraw/zinc/35/66/14/368356614.db2.gz XUGWHTFGURQCPX-UHFFFAOYSA-N 0 0 256.305 3.447 50 0 CGAARN CCOC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000000392573 368357137 /nfs/dbraw/zinc/35/71/37/368357137.db2.gz KSXZWUUWLJNAPR-UHFFFAOYSA-N 0 0 278.311 3.474 50 0 CGAARN CC(=O)Oc1ccccc1NC(=O)CCc1ccccc1 ZINC000000467170 368372972 /nfs/dbraw/zinc/37/29/72/368372972.db2.gz IYNYXJASQDEYDV-UHFFFAOYSA-N 0 0 283.327 3.183 50 0 CGAARN CCOC(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000000396614 368357453 /nfs/dbraw/zinc/35/74/53/368357453.db2.gz MMKJGLKGTNSPFJ-UHFFFAOYSA-N 0 0 270.328 3.371 50 0 CGAARN CCc1cccc(C)c1NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000000397194 368357774 /nfs/dbraw/zinc/35/77/74/368357774.db2.gz CSJYUSINUQCMOV-BETUJISGSA-N 0 0 276.380 3.199 50 0 CGAARN COc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000000408593 368360378 /nfs/dbraw/zinc/36/03/78/368360378.db2.gz PBLIMHKFERAIEH-UHFFFAOYSA-N 0 0 285.387 3.250 50 0 CGAARN O=C(/C=C/c1ccccc1)NCCn1ccc2ccccc21 ZINC000000427805 368363770 /nfs/dbraw/zinc/36/37/70/368363770.db2.gz FDCMNADYTWRJKA-ZHACJKMWSA-N 0 0 290.366 3.471 50 0 CGAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@H]2C)c1C ZINC000000429507 368363943 /nfs/dbraw/zinc/36/39/43/368363943.db2.gz TUONPCXOXXOCET-RNCFNFMXSA-N 0 0 276.380 3.143 50 0 CGAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCCC[C@H]2C)c1C ZINC000000429508 368363948 /nfs/dbraw/zinc/36/39/48/368363948.db2.gz TUONPCXOXXOCET-NOZJJQNGSA-N 0 0 276.380 3.143 50 0 CGAARN c1ccc2c(c1)ncnc2-c1ncnc2ccccc21 ZINC000000437315 368366146 /nfs/dbraw/zinc/36/61/46/368366146.db2.gz NCIYXFGSHPYWGW-UHFFFAOYSA-N 0 0 258.284 3.240 50 0 CGAARN CC[C@H](Oc1ccccc1)C(=O)Nc1nc(C)cs1 ZINC000000804540 368396035 /nfs/dbraw/zinc/39/60/35/368396035.db2.gz OQCZVFUCYXJIJC-LBPRGKRZSA-N 0 0 276.361 3.248 50 0 CGAARN Cc1cc2n(n1)[C@H](c1cccnc1)Nc1ccccc1-2 ZINC000000817674 368396575 /nfs/dbraw/zinc/39/65/75/368396575.db2.gz GNFKXLUCRGCZTF-MRXNPFEDSA-N 0 0 262.316 3.226 50 0 CGAARN O=C(Oc1ccc2ccc(=O)oc2c1)c1cccs1 ZINC000000859108 368398071 /nfs/dbraw/zinc/39/80/71/368398071.db2.gz PSACGRDUMBMCOY-UHFFFAOYSA-N 0 0 272.281 3.074 50 0 biogenic CGAARN O=C(CSc1ccccc1)Nc1ccccc1O ZINC000000470483 368374080 /nfs/dbraw/zinc/37/40/80/368374080.db2.gz AYHKIEDCIUVEDU-UHFFFAOYSA-N 0 0 259.330 3.123 50 0 CGAARN COc1ccc(CCNC(=O)/C=C/c2cccs2)cc1 ZINC000000474472 368375465 /nfs/dbraw/zinc/37/54/65/368375465.db2.gz OLOAYESBOYEFCV-CMDGGOBGSA-N 0 0 287.384 3.129 50 0 CGAARN COc1ccccc1-c1nc2cc(NC(C)=O)ccc2o1 ZINC000000974476 368399257 /nfs/dbraw/zinc/39/92/57/368399257.db2.gz LOTZPRVUMXOUEO-UHFFFAOYSA-N 0 0 282.299 3.462 50 0 CGAARN Cc1cccc(-n2c(C)nc3ccsc3c2=O)c1 ZINC000000480912 368376458 /nfs/dbraw/zinc/37/64/58/368376458.db2.gz WFAKVXGVRPSOGW-UHFFFAOYSA-N 0 0 256.330 3.064 50 0 CGAARN CCc1ccc(OC(=O)COc2ccccc2)cc1 ZINC000000486591 368378287 /nfs/dbraw/zinc/37/82/87/368378287.db2.gz HZIAFQJTFZKSOS-UHFFFAOYSA-N 0 0 256.301 3.233 50 0 CGAARN CC(C)[C@H](CCN1C(=O)CCC1=O)[C@H]1CCOC(C)(C)C1 ZINC000000489553 368378955 /nfs/dbraw/zinc/37/89/55/368378955.db2.gz ZVWGTYICLOZWTC-KBPBESRZSA-N 0 0 295.423 3.003 50 0 CGAARN COc1ccc(C(=O)CC[C@@H]2CCCCC2=O)cc1 ZINC000000491098 368379090 /nfs/dbraw/zinc/37/90/90/368379090.db2.gz BNAFQQVBCCSNHM-LBPRGKRZSA-N 0 0 260.333 3.417 50 0 biogenic CGAARN O=C(Nc1ccc(F)cc1F)C(Cl)(Cl)Cl ZINC000000514137 368381732 /nfs/dbraw/zinc/38/17/32/368381732.db2.gz MBCFUXUJBFQJQK-UHFFFAOYSA-N 0 0 274.481 3.274 50 0 CGAARN CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccco1 ZINC000000544747 368385478 /nfs/dbraw/zinc/38/54/78/368385478.db2.gz ZJBOHECPPNQTMZ-CQSZACIVSA-N 0 0 298.342 3.376 50 0 CGAARN CCOc1ccc([C@H](O)c2cnc(C(C)C)n2C)cc1 ZINC000000548792 368386134 /nfs/dbraw/zinc/38/61/34/368386134.db2.gz GDRQKHYTRJNHGJ-HNNXBMFYSA-N 0 0 274.364 3.024 50 0 CGAARN Cc1ccc(Cl)cc1-n1cnc2ccccc2c1=O ZINC000000608788 368391296 /nfs/dbraw/zinc/39/12/96/368391296.db2.gz UHNYIINAEVHHHJ-UHFFFAOYSA-N 0 0 270.719 3.348 50 0 CGAARN Cc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 ZINC000000610855 368391345 /nfs/dbraw/zinc/39/13/45/368391345.db2.gz GWGHHWYZOOPMJD-CYBMUJFWSA-N 0 0 295.338 3.240 50 0 CGAARN COC(=O)c1ccc(COc2ccc(F)cc2)cc1 ZINC000000618243 368392660 /nfs/dbraw/zinc/39/26/60/368392660.db2.gz MNOIYQRCWAJILI-UHFFFAOYSA-N 0 0 260.264 3.191 50 0 CGAARN Cc1nc2ccc(C(=O)Nc3cccnc3)cc2s1 ZINC000000619384 368393657 /nfs/dbraw/zinc/39/36/57/368393657.db2.gz GMLUGSKQNLCVAP-UHFFFAOYSA-N 0 0 269.329 3.252 50 0 CGAARN Cc1cc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)no1 ZINC000001056382 368401429 /nfs/dbraw/zinc/40/14/29/368401429.db2.gz BHBKOJOYTFPVAJ-GFCCVEGCSA-N 0 0 258.321 3.091 50 0 CGAARN COc1ccc(CNC(=O)c2ccccc2SC)cc1 ZINC000001078218 368402345 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/nfs/dbraw/zinc/10/72/95/185107295.db2.gz XMASFXKQUWJPOG-UHFFFAOYSA-N 0 0 282.347 3.219 50 0 CGAARN Cc1ccnc(NCc2c(F)cccc2Cl)n1 ZINC000083390795 178394434 /nfs/dbraw/zinc/39/44/34/178394434.db2.gz XFABISWMMMPVBZ-UHFFFAOYSA-N 0 0 251.692 3.190 50 0 CGAARN COc1cccc(/C=C\C(=O)Nc2ccc(Cl)cn2)c1 ZINC000096793909 185114973 /nfs/dbraw/zinc/11/49/73/185114973.db2.gz HYUYGCFHKJAHOV-YVMONPNESA-N 0 0 288.734 3.396 50 0 CGAARN O=C(/C=C\c1ccco1)Nc1ccccc1N1CCCC1=O ZINC000096911350 185128833 /nfs/dbraw/zinc/12/88/33/185128833.db2.gz SKTQDUIPKDLVDU-KTKRTIGZSA-N 0 0 296.326 3.058 50 0 CGAARN C[C@@H]1CCCCN1C(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000096911753 185129424 /nfs/dbraw/zinc/12/94/24/185129424.db2.gz ILIYAJKLVDQBSB-JQPIKURYSA-N 0 0 295.386 3.287 50 0 CGAARN Cn1ccc(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)n1 ZINC000096926665 185131185 /nfs/dbraw/zinc/13/11/85/185131185.db2.gz WYVLVHTUIZGTOQ-IHWYPQMZSA-N 0 0 296.157 3.379 50 0 CGAARN Cc1nc(/C=C\C(=O)N(C)Cc2cccs2)cs1 ZINC000096973025 185144120 /nfs/dbraw/zinc/14/41/20/185144120.db2.gz ZKPXEKSIYVDTPH-WAYWQWQTSA-N 0 0 278.402 3.185 50 0 CGAARN COc1ccc(Cl)cc1NC(=O)/C=C\c1cccnc1 ZINC000096991449 185146159 /nfs/dbraw/zinc/14/61/59/185146159.db2.gz SJWNWRBJNOIJDD-DAXSKMNVSA-N 0 0 288.734 3.396 50 0 CGAARN c1ccc(Cn2nnnc2SC2CCCCC2)cc1 ZINC000096999348 185149841 /nfs/dbraw/zinc/14/98/41/185149841.db2.gz IRMIJXITNQVXMX-UHFFFAOYSA-N 0 0 274.393 3.146 50 0 CGAARN C[C@H](O)c1ccccc1NC(=O)CCc1ccsc1 ZINC000096997829 185149924 /nfs/dbraw/zinc/14/99/24/185149924.db2.gz DUPGOPKTGRTTTB-NSHDSACASA-N 0 0 275.373 3.373 50 0 CGAARN O=C(/C=C\c1cccnc1)Nc1ccc(OC(F)F)cc1 ZINC000096988878 185148491 /nfs/dbraw/zinc/14/84/91/185148491.db2.gz HHCMOOAXRAOZOL-BAQGIRSFSA-N 0 0 290.269 3.335 50 0 CGAARN CC[C@@H](N[C@@H](C)c1nnc(C)o1)c1cc(F)ccc1F ZINC000097033527 185155966 /nfs/dbraw/zinc/15/59/66/185155966.db2.gz IYHLFNIGBRNQOT-ISVAXAHUSA-N 0 0 281.306 3.458 50 0 CGAARN COc1ccccc1CN(C)C(=O)Nc1ccncc1C ZINC000097032430 185156630 /nfs/dbraw/zinc/15/66/30/185156630.db2.gz RJNORIGSEUCEMD-UHFFFAOYSA-N 0 0 285.347 3.063 50 0 CGAARN CC[C@@H](C)c1ccccc1NC(=S)NC(C)=O ZINC000000342190 529430977 /nfs/dbraw/zinc/43/09/77/529430977.db2.gz WWXSSFFZSQPJFL-SECBINFHSA-N 0 0 250.367 3.033 50 0 CGAARN Cc1nnc(CN2CCC[C@H]2c2ccc(Cl)cc2)n1C ZINC000049236453 282315237 /nfs/dbraw/zinc/31/52/37/282315237.db2.gz FNVMNEVNVPRFCV-AWEZNQCLSA-N 0 0 290.798 3.114 50 0 CGAARN CSCc1nnc(SCCN(C)c2ccccc2)o1 ZINC000083861062 178754697 /nfs/dbraw/zinc/75/46/97/178754697.db2.gz HHVMJEZVANOBGN-UHFFFAOYSA-N 0 0 295.433 3.161 50 0 CGAARN Cc1ccc(C(=O)n2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000000060415 344854548 /nfs/dbraw/zinc/85/45/48/344854548.db2.gz XFGIWZMHOKJVBT-UHFFFAOYSA-N 0 0 287.702 3.245 50 0 CGAARN Cc1cc(OC(=O)c2ccc(=O)oc2)cc(C)c1Cl ZINC000000338595 344854925 /nfs/dbraw/zinc/85/49/25/344854925.db2.gz XONWFPMLLDOZRZ-UHFFFAOYSA-N 0 0 278.691 3.129 50 0 CGAARN CC(C)(C)c1ccc(N2OC[C@H]3CSC[C@H]32)cc1 ZINC000001318578 344856470 /nfs/dbraw/zinc/85/64/70/344856470.db2.gz VAQNWSIIZKGTBK-SMDDNHRTSA-N 0 0 263.406 3.467 50 0 CGAARN O=C1Nc2ccccc2N[C@@H]1Oc1cccc(Cl)c1 ZINC000003069163 344857785 /nfs/dbraw/zinc/85/77/85/344857785.db2.gz GCPIXGNEIBKCLE-CQSZACIVSA-N 0 0 274.707 3.109 50 0 CGAARN [O-][n+]1ccc(NN=Cc2ccc(F)cc2)c2ccccc21 ZINC000004957494 344860353 /nfs/dbraw/zinc/86/03/53/344860353.db2.gz YVGLZJRQXXCDNF-WOJGMQOQSA-N 0 0 281.290 3.058 50 0 CGAARN Cc1ccc(OC(=O)[C@@H]2COc3ccccc3O2)cc1C ZINC000005978250 344863553 /nfs/dbraw/zinc/86/35/53/344863553.db2.gz KLNGFLRIFXLCKX-INIZCTEOSA-N 0 0 284.311 3.049 50 0 CGAARN COc1ccc(NC=C2C(=O)C(C)(C)OC2(C)C)cc1 ZINC000006026017 344864004 /nfs/dbraw/zinc/86/40/04/344864004.db2.gz OJHDHIPYTZVPPQ-RAXLEYEMSA-N 0 0 275.348 3.148 50 0 CGAARN Cc1noc(C)c1C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000008071402 344870975 /nfs/dbraw/zinc/87/09/75/344870975.db2.gz FQEXBBULCWQIGH-OAHLLOKOSA-N 0 0 284.359 3.441 50 0 CGAARN COc1ccc(C2=NCSc3ccccc3N2)cc1 ZINC000019892284 344890933 /nfs/dbraw/zinc/89/09/33/344890933.db2.gz NZOMHLCULBKRKT-UHFFFAOYSA-N 0 0 270.357 3.426 50 0 CGAARN Cc1ccc(Nc2nnc(-c3ccncc3)o2)cc1C ZINC000034213660 344938566 /nfs/dbraw/zinc/93/85/66/344938566.db2.gz WTPFBUDSDUGGBJ-UHFFFAOYSA-N 0 0 266.304 3.492 50 0 CGAARN Cc1nnc2sc(SCc3ccc(Cl)cc3)nn12 ZINC000039930616 344960894 /nfs/dbraw/zinc/96/08/94/344960894.db2.gz CDRJDGNFVFRSIB-UHFFFAOYSA-N 0 0 296.808 3.440 50 0 CGAARN O=c1[nH]cc(C(F)(F)F)cc1-c1ccccc1F ZINC000047204633 345049489 /nfs/dbraw/zinc/04/94/89/345049489.db2.gz DELPNBGSDOPAER-UHFFFAOYSA-N 0 0 257.186 3.200 50 0 CGAARN FC(F)(F)c1[nH]c(=S)ccc1-c1ccncc1 ZINC000047214025 345049563 /nfs/dbraw/zinc/04/95/63/345049563.db2.gz FDVJPAIUPBSRSI-UHFFFAOYSA-N 0 0 256.252 3.451 50 0 CGAARN Nc1ncc(C(F)(F)F)cc1-c1ccccc1F ZINC000047203688 345049610 /nfs/dbraw/zinc/04/96/10/345049610.db2.gz BJLBVPDLLSJPES-UHFFFAOYSA-N 0 0 256.202 3.489 50 0 CGAARN CCCOc1ccc(C(=O)c2cccc(OC)n2)cc1 ZINC000045028749 345019506 /nfs/dbraw/zinc/01/95/06/345019506.db2.gz KICYMNYILFHRKU-UHFFFAOYSA-N 0 0 271.316 3.110 50 0 CGAARN CCCCNc1nnc(-c2nnc(CC)o2)c2ccccc21 ZINC000065258196 345270510 /nfs/dbraw/zinc/27/05/10/345270510.db2.gz QJJDFYUXEBISCG-UHFFFAOYSA-N 0 0 297.362 3.454 50 0 CGAARN CCO[C@@H](C)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000097086109 185527132 /nfs/dbraw/zinc/52/71/32/185527132.db2.gz MJMXYXJLNZOZRN-NSHDSACASA-N 0 0 290.388 3.482 50 0 CGAARN CCn1c(CCNC(=O)c2ccsc2)nc2ccccc21 ZINC000065929655 345281301 /nfs/dbraw/zinc/28/13/01/345281301.db2.gz IXRQKEYDYDVHOT-UHFFFAOYSA-N 0 0 299.399 3.090 50 0 CGAARN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000066763566 345305498 /nfs/dbraw/zinc/30/54/98/345305498.db2.gz WWVSFJNYANOIFP-HNNXBMFYSA-N 0 0 283.375 3.128 50 0 CGAARN COCC[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 ZINC000069895217 345387015 /nfs/dbraw/zinc/38/70/15/345387015.db2.gz LAJVERLIPWVDRO-VIFPVBQESA-N 0 0 272.295 3.171 50 0 CGAARN O=C(Nc1ccccc1)N1C[C@H](O)C[C@@H]1C1CCCCC1 ZINC000071908650 345405662 /nfs/dbraw/zinc/40/56/62/345405662.db2.gz BALGFRMYMVTUAU-HZPDHXFCSA-N 0 0 288.391 3.234 50 0 CGAARN Cc1csc([C@H]2CCCCN2C(=O)C2=COCCC2)n1 ZINC000072271463 345407928 /nfs/dbraw/zinc/40/79/28/345407928.db2.gz CIMNUKGQWFMORC-CYBMUJFWSA-N 0 0 292.404 3.199 50 0 CGAARN Cc1cnc(-c2nc(Cc3cccc(Cl)c3)no2)cn1 ZINC000072274974 345408179 /nfs/dbraw/zinc/40/81/79/345408179.db2.gz IFNPOIFENRHPBK-UHFFFAOYSA-N 0 0 286.722 3.079 50 0 CGAARN Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cnc1Cl ZINC000072313694 345409914 /nfs/dbraw/zinc/40/99/14/345409914.db2.gz PWSSIVMIRZWQMX-GHMZBOCLSA-N 0 0 276.723 3.379 50 0 CGAARN C[C@H](c1ccccc1)[N@@H+]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000075278715 345499972 /nfs/dbraw/zinc/49/99/72/345499972.db2.gz ORVVCXIKSSQFKX-GALLPEHLSA-N 0 0 259.349 3.075 50 0 CGAARN CN(C(=O)NCC1(c2ccccc2F)CC1)C1CCC1 ZINC000074323469 345466345 /nfs/dbraw/zinc/46/63/45/345466345.db2.gz DMBVICVZBUPXSB-UHFFFAOYSA-N 0 0 276.355 3.051 50 0 CGAARN COC(C)(C)c1noc(-c2cccc3cc[nH]c32)n1 ZINC000084370449 178875547 /nfs/dbraw/zinc/87/55/47/178875547.db2.gz DXRXNUTVYWAXCK-UHFFFAOYSA-N 0 0 257.293 3.099 50 0 CGAARN CO[C@@H](C)c1nc(CN(C)C(=O)[C@@H]2CC=CCC2)cs1 ZINC000079022276 345628753 /nfs/dbraw/zinc/62/87/53/345628753.db2.gz HUYLDRGCLHTEDT-NWDGAFQWSA-N 0 0 294.420 3.165 50 0 CGAARN Cc1ccc(-c2ccc(C(=O)N(C)C)cn2)c2cccnc12 ZINC000097179375 185556427 /nfs/dbraw/zinc/55/64/27/185556427.db2.gz HSMGXOPGRGEFGE-UHFFFAOYSA-N 0 0 291.354 3.307 50 0 CGAARN O=C(CCCc1c[nH]c2ccccc12)NCCn1cccc1 ZINC000080790821 345687419 /nfs/dbraw/zinc/68/74/19/345687419.db2.gz MLBDRJKIWMEIQE-UHFFFAOYSA-N 0 0 295.386 3.109 50 0 biogenic CGAARN CN(C(=O)Cc1ccon1)c1c(Cl)cccc1Cl ZINC000093263363 345873414 /nfs/dbraw/zinc/87/34/14/345873414.db2.gz MXMLHNWFPSHDKC-UHFFFAOYSA-N 0 0 285.130 3.187 50 0 CGAARN Cc1cc(Br)cnc1N(C)Cc1nccs1 ZINC000095412119 345900038 /nfs/dbraw/zinc/90/00/38/345900038.db2.gz KQZDHZSABFNDQN-UHFFFAOYSA-N 0 0 298.209 3.245 50 0 CGAARN Cc1occc1C(=O)NC1(c2ccccc2)CCOCC1 ZINC000095395614 345900449 /nfs/dbraw/zinc/90/04/49/345900449.db2.gz HHAYRZQPQCXOHM-UHFFFAOYSA-N 0 0 285.343 3.024 50 0 CGAARN Cc1nc(N(C)C)sc1CN(C)[C@H](C)c1ccccn1 ZINC000097375250 345907792 /nfs/dbraw/zinc/90/77/92/345907792.db2.gz LJGPCQYVJFTECK-GFCCVEGCSA-N 0 0 290.436 3.106 50 0 CGAARN c1coc(CN2CCCC[C@H]2c2nncn2CC2CC2)c1 ZINC000097941518 345909280 /nfs/dbraw/zinc/90/92/80/345909280.db2.gz RHHQQCGGACASHA-HNNXBMFYSA-N 0 0 286.379 3.008 50 0 CGAARN CCOP(=O)(Cc1cccc(C(=O)OC)c1)OCC ZINC000113968585 345962535 /nfs/dbraw/zinc/96/25/35/345962535.db2.gz OYDOFGBVULDGDS-UHFFFAOYSA-N 0 0 286.264 3.239 50 0 CGAARN C[C@H](CCn1cccn1)Nc1cccc(N2CCCC2)c1 ZINC000170593161 346194356 /nfs/dbraw/zinc/19/43/56/346194356.db2.gz XFXSMKGXBFEEFD-OAHLLOKOSA-N 0 0 284.407 3.374 50 0 CGAARN Cc1ccc(NC(=O)Nc2ccc(O)cc2C)c(C)n1 ZINC000170604279 346194869 /nfs/dbraw/zinc/19/48/69/346194869.db2.gz XUWDWQKRLNQJDL-UHFFFAOYSA-N 0 0 271.320 3.356 50 0 CGAARN CN(C)c1ncccc1NCc1ncccc1C(F)(F)F ZINC000170606915 346195032 /nfs/dbraw/zinc/19/50/32/346195032.db2.gz YHZCQVUFTYSHKD-UHFFFAOYSA-N 0 0 296.296 3.174 50 0 CGAARN C[C@@H]1C[C@@H](CC(=O)N2CCOC(C)(C)C2)CC(C)(C)C1 ZINC000170620614 346195705 /nfs/dbraw/zinc/19/57/05/346195705.db2.gz LUKBVVLZTPRKEM-KGLIPLIRSA-N 0 0 281.440 3.476 50 0 CGAARN CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCCC2)C12CCCC2 ZINC000170637370 346196377 /nfs/dbraw/zinc/19/63/77/346196377.db2.gz GLOTWGKYFYLAEU-LSDHHAIUSA-N 0 0 294.439 3.308 50 0 CGAARN COCC1(C(=O)N2CCC[C@@H]2c2ccccc2C)CCC1 ZINC000097636692 185641664 /nfs/dbraw/zinc/64/16/64/185641664.db2.gz NBQVTLCHXHGZJS-MRXNPFEDSA-N 0 0 287.403 3.475 50 0 CGAARN O=C(CCC1CCOCC1)NCc1nccc2ccccc21 ZINC000173266382 346233298 /nfs/dbraw/zinc/23/32/98/346233298.db2.gz UATFYHKHNNWRCI-UHFFFAOYSA-N 0 0 298.386 3.058 50 0 CGAARN CCc1ccccc1-c1ncccc1C(=O)N(C)C ZINC000097681697 185650784 /nfs/dbraw/zinc/65/07/84/185650784.db2.gz XFYZRRYETUTMGG-UHFFFAOYSA-N 0 0 254.333 3.013 50 0 CGAARN CCc1noc([C@@H](C)N[C@H](C)c2cc(C)oc2C)n1 ZINC000183786059 346257474 /nfs/dbraw/zinc/25/74/74/346257474.db2.gz RQGZZZWPONQEFM-NXEZZACHSA-N 0 0 263.341 3.254 50 0 CGAARN Cc1csc(CNc2nnc(-c3cc(C)oc3C)o2)n1 ZINC000195562479 346274079 /nfs/dbraw/zinc/27/40/79/346274079.db2.gz RVZCUYLYMDJKTQ-UHFFFAOYSA-N 0 0 290.348 3.323 50 0 CGAARN CC[C@H](C)CC(=O)NC1(c2nc(C)cs2)CCOCC1 ZINC000225635725 346304814 /nfs/dbraw/zinc/30/48/14/346304814.db2.gz NOGRBECSCOGIRH-NSHDSACASA-N 0 0 296.436 3.010 50 0 CGAARN Cc1cccc2c1CCN2C(=O)c1conc1C1CC1 ZINC000225557717 346304825 /nfs/dbraw/zinc/30/48/25/346304825.db2.gz YIWUWXMJGSIQQD-UHFFFAOYSA-N 0 0 268.316 3.063 50 0 CGAARN CO[C@@H](C)c1ccc(-c2cc(N3CCCC3)nc(N)n2)cc1 ZINC000097784958 185667644 /nfs/dbraw/zinc/66/76/44/185667644.db2.gz JMYJMQHXJYOHOB-LBPRGKRZSA-N 0 0 298.390 3.033 50 0 CGAARN CC(=O)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000230237596 346320578 /nfs/dbraw/zinc/32/05/78/346320578.db2.gz AGQAVFDIMHSRCA-AEFFLSMTSA-N 0 0 292.338 3.145 50 0 CGAARN CCOC(=O)[C@@H]1CC[C@H](Nc2cccc(O)c2)C[C@H]1C ZINC000253369430 346394462 /nfs/dbraw/zinc/39/44/62/346394462.db2.gz CMSQOIKHVQTVHK-OSAQELSMSA-N 0 0 277.364 3.172 50 0 CGAARN Cc1ccoc1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000085482657 179080193 /nfs/dbraw/zinc/08/01/93/179080193.db2.gz UJOMRJFHWOPIBC-OAHLLOKOSA-N 0 0 297.354 3.466 50 0 CGAARN O=C(c1cccc(Oc2ncccn2)c1)N1CCCCCC1 ZINC000085534067 179092537 /nfs/dbraw/zinc/09/25/37/179092537.db2.gz QHPXWWYABWYHBC-UHFFFAOYSA-N 0 0 297.358 3.285 50 0 CGAARN Cc1cc([C@H](O)CCNC(=O)Nc2ccccc2)c(C)o1 ZINC000085562048 179094310 /nfs/dbraw/zinc/09/43/10/179094310.db2.gz BUORUUCJGARGMM-OAHLLOKOSA-N 0 0 288.347 3.142 50 0 CGAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)Cn1cccc1 ZINC000390832404 346575194 /nfs/dbraw/zinc/57/51/94/346575194.db2.gz ZHJXACOMMSDYDV-AWEZNQCLSA-N 0 0 294.464 3.401 50 0 CGAARN Cc1sc2ncn(-c3cccc(C)c3)c(=O)c2c1C ZINC000000521182 282488297 /nfs/dbraw/zinc/48/82/97/282488297.db2.gz NFTPSECQLUBEKN-UHFFFAOYSA-N 0 0 270.357 3.372 50 0 CGAARN Cc1csc(CN(C)C(=O)[C@H]2CCc3ccccc32)n1 ZINC000584886264 346721325 /nfs/dbraw/zinc/72/13/25/346721325.db2.gz HMGGTIGRXFQBRS-AWEZNQCLSA-N 0 0 286.400 3.140 50 0 CGAARN O=C(c1cccc2c1CCC2=O)N1CCC2(CCCC2)C1 ZINC000584893798 346722354 /nfs/dbraw/zinc/72/23/54/346722354.db2.gz QXSXMUDGIOEUGO-UHFFFAOYSA-N 0 0 283.371 3.222 50 0 CGAARN Cc1cccnc1CC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000584895184 346723093 /nfs/dbraw/zinc/72/30/93/346723093.db2.gz RIQGXXGOXFXUTM-UHFFFAOYSA-N 0 0 298.430 3.121 50 0 CGAARN c1ccc(OC2CN([C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000584902749 346723620 /nfs/dbraw/zinc/72/36/20/346723620.db2.gz VXUQPBNKKAKNRO-QGZVFWFLSA-N 0 0 294.398 3.029 50 0 CGAARN Cc1cccc(C)c1NC(=O)N1CC[C@@H]1C(F)(F)F ZINC000585141335 346725076 /nfs/dbraw/zinc/72/50/76/346725076.db2.gz SWKJDBYPMNHGJJ-SNVBAGLBSA-N 0 0 272.270 3.472 50 0 CGAARN C=C=CCNCc1csc(COc2ccc(C)cc2)n1 ZINC000585136257 346725101 /nfs/dbraw/zinc/72/51/01/346725101.db2.gz YGQQHOFJPWLLCA-UHFFFAOYSA-N 0 0 286.400 3.461 50 0 CGAARN COc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](CCCCO)N2 ZINC000601008711 347851917 /nfs/dbraw/zinc/85/19/17/347851917.db2.gz ZUDQAMIEJMOPIY-YSVLISHTSA-N 0 0 291.391 3.120 50 0 CGAARN COc1ccc(/C=C/Oc2ccc(O)cc2)c(OC)c1 ZINC000601147054 347874864 /nfs/dbraw/zinc/87/48/64/347874864.db2.gz FNOZOQILOWGXBB-MDZDMXLPSA-N 0 0 272.300 3.459 50 0 CGAARN COc1ccc(NC(=O)CCCCCn2cccc2)cn1 ZINC000604419351 348119642 /nfs/dbraw/zinc/11/96/42/348119642.db2.gz DLIWXZLTRIJYPF-UHFFFAOYSA-N 0 0 287.363 3.091 50 0 CGAARN CC(C)(C)n1cc(/C=C\c2nc3c(cccc3O)o2)nn1 ZINC000606445539 348184673 /nfs/dbraw/zinc/18/46/73/348184673.db2.gz PIPWEIAGJCCIIU-FPLPWBNLSA-N 0 0 284.319 3.050 50 0 CGAARN COCCSCc1nnc(-c2cccc(Cl)c2)o1 ZINC000089420244 179784722 /nfs/dbraw/zinc/78/47/22/179784722.db2.gz SLIUHSWMDXKAMQ-UHFFFAOYSA-N 0 0 284.768 3.270 50 0 CGAARN Cc1cc(CNc2nnc(-c3cccc(F)c3)cc2C)no1 ZINC000089600927 179828095 /nfs/dbraw/zinc/82/80/95/179828095.db2.gz UVUINKABOKKUTR-UHFFFAOYSA-N 0 0 298.321 3.500 50 0 CGAARN C[C@H](CNc1ccc(C(F)(F)F)cn1)Cn1ccnc1 ZINC000091454119 180159405 /nfs/dbraw/zinc/15/94/05/180159405.db2.gz CUSCPPSNFVKZSM-SNVBAGLBSA-N 0 0 284.285 3.045 50 0 CGAARN C[C@@H](CNc1ccc(C(F)(F)F)cn1)Cn1ccnc1 ZINC000091454118 180159553 /nfs/dbraw/zinc/15/95/53/180159553.db2.gz CUSCPPSNFVKZSM-JTQLQIEISA-N 0 0 284.285 3.045 50 0 CGAARN CC(C)c1ccc([C@@H](CCO)Nc2ccncn2)cc1 ZINC000091593218 180201015 /nfs/dbraw/zinc/20/10/15/180201015.db2.gz LLUHBKTWVBKVOH-OAHLLOKOSA-N 0 0 271.364 3.136 50 0 CGAARN O=C(C[C@H]1CCc2ccccc21)N1CCC(F)(F)CC1 ZINC000091645145 180214621 /nfs/dbraw/zinc/21/46/21/180214621.db2.gz PBLSGMFVQPWMQI-CYBMUJFWSA-N 0 0 279.330 3.364 50 0 CGAARN CCOC(=O)c1cnc2cccc(Br)c2c1 ZINC000091692642 180228550 /nfs/dbraw/zinc/22/85/50/180228550.db2.gz IQYDMSOHOYEMJP-UHFFFAOYSA-N 0 0 280.121 3.174 50 0 CGAARN COc1ccc2c(c1)OC[C@@H](Cc1cnc3[nH]ccc3c1)C2 ZINC000091736903 180244392 /nfs/dbraw/zinc/24/43/92/180244392.db2.gz AMLOQFBKEXJKBG-ZDUSSCGKSA-N 0 0 294.354 3.365 50 0 CGAARN CCCCn1ncnc1-c1cc(C(C)C)nn1CC ZINC000091894832 180282047 /nfs/dbraw/zinc/28/20/47/180282047.db2.gz IMEOQYCPMWZAEA-UHFFFAOYSA-N 0 0 261.373 3.085 50 0 CGAARN Cc1ccc([C@@H](C)C[NH2+][C@H](c2nncn2C)C(C)C)cc1 ZINC000628271866 350473329 /nfs/dbraw/zinc/47/33/29/350473329.db2.gz UDTKFWKYAADXQW-HOCLYGCPSA-N 0 0 286.423 3.214 50 0 CGAARN COc1cccnc1NC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000106637375 186129951 /nfs/dbraw/zinc/12/99/51/186129951.db2.gz RRMATCQSQCTGIT-JMXKNUNPSA-N 0 0 298.342 3.459 50 0 CGAARN Cc1nc(-c2ccc(Cl)cc2)c(N)c(N2CCCC2)n1 ZINC000106856922 186143267 /nfs/dbraw/zinc/14/32/67/186143267.db2.gz CLWMJAFOOGVDMT-UHFFFAOYSA-N 0 0 288.782 3.288 50 0 CGAARN C[C@H](CC[C@@H]1CCCO1)NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000110637953 186307408 /nfs/dbraw/zinc/30/74/08/186307408.db2.gz NFSXCUBLOVUHDC-UGUYLWEFSA-N 0 0 294.439 3.308 50 0 CGAARN C/C=C(\C)c1nc(Cc2ccc(OC)c(OC)c2)no1 ZINC000121498593 186976706 /nfs/dbraw/zinc/97/67/06/186976706.db2.gz PEJNBNMUAGVPEU-BJMVGYQFSA-N 0 0 274.320 3.101 50 0 CGAARN CC(C)(C)C[C@H](O)CC(=O)N1CC2(CC2)c2ccccc21 ZINC000291720974 198070151 /nfs/dbraw/zinc/07/01/51/198070151.db2.gz BEVHGHDLNJVQRM-CYBMUJFWSA-N 0 0 287.403 3.252 50 0 CGAARN O=C(Nc1ccncc1F)[C@H]1CSc2ccccc21 ZINC000123072960 187069587 /nfs/dbraw/zinc/06/95/87/187069587.db2.gz VMXDWJPORMQUPJ-JTQLQIEISA-N 0 0 274.320 3.049 50 0 CGAARN O=c1ccccn1Cc1c(Cl)ccc2cccnc21 ZINC000048609483 137903276 /nfs/dbraw/zinc/90/32/76/137903276.db2.gz KIKQVPOYXQUKTF-UHFFFAOYSA-N 0 0 270.719 3.098 50 0 CGAARN CS[C@@H]1CC[C@@H](Nc2nnc(C(F)(F)F)s2)C1 ZINC000155003853 188176733 /nfs/dbraw/zinc/17/67/33/188176733.db2.gz TXUGFGDTNOAFBR-PHDIDXHHSA-N 0 0 283.344 3.253 50 0 CGAARN C[C@@H](Cc1ccccc1)CN(CCO)c1ccccc1 ZINC000170606996 188675649 /nfs/dbraw/zinc/67/56/49/188675649.db2.gz PIQRUEIONRVPJP-INIZCTEOSA-N 0 0 269.388 3.364 50 0 CGAARN O=C(NCC1CCOCC1)Nc1ccc(F)c(Cl)c1 ZINC000169776916 188663762 /nfs/dbraw/zinc/66/37/62/188663762.db2.gz KLBKKJYZMLAJTM-UHFFFAOYSA-N 0 0 286.734 3.027 50 0 CGAARN Fc1ccccc1Oc1ccc2nnc(C(F)(F)F)n2n1 ZINC000014167050 283030427 /nfs/dbraw/zinc/03/04/27/283030427.db2.gz UNUCAXBEVGRNCE-UHFFFAOYSA-N 0 0 298.199 3.075 50 0 CGAARN Cc1nc(CN2C[C@@H](C)S[C@H](C)C2)sc1C ZINC000088602161 138342536 /nfs/dbraw/zinc/34/25/36/138342536.db2.gz UEKDVBZCFYSJCL-RKDXNWHRSA-N 0 0 256.440 3.086 50 0 CGAARN Cc1noc(C)c1CNC(=O)c1cc(F)ccc1Cl ZINC000169751114 571959370 /nfs/dbraw/zinc/95/93/70/571959370.db2.gz BIEJGQPNGNHFTK-UHFFFAOYSA-N 0 0 282.702 3.014 50 0 CGAARN Cc1ccc(C(=O)Nc2nc(-c3nccn3C)cs2)cc1 ZINC000119123435 138367009 /nfs/dbraw/zinc/36/70/09/138367009.db2.gz HEWBVYXMLLYXFM-UHFFFAOYSA-N 0 0 298.371 3.104 50 0 CGAARN Cc1csc(-c2ccc(NCc3ncc[nH]3)cc2)n1 ZINC000125037835 138379220 /nfs/dbraw/zinc/37/92/20/138379220.db2.gz RZIAYNHRBBRMFG-UHFFFAOYSA-N 0 0 270.361 3.454 50 0 CGAARN NC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000230698199 138507987 /nfs/dbraw/zinc/50/79/87/138507987.db2.gz LZNNEVJTIBOKQT-UHFFFAOYSA-N 0 0 283.940 3.247 50 0 CGAARN C[C@@H]1CN(C(=O)[C@H]2CCCOC2)CC[C@H]1c1ccccc1 ZINC000246735144 138536997 /nfs/dbraw/zinc/53/69/97/138536997.db2.gz HXCOQXAEQBIJIR-HYVNUMGLSA-N 0 0 287.403 3.065 50 0 CGAARN CNC(=O)N(c1ccc(C)cc1)C1=NCCCCC1 ZINC000003206493 283342841 /nfs/dbraw/zinc/34/28/41/283342841.db2.gz LQZIYDVWSUZJFC-UHFFFAOYSA-N 0 0 259.353 3.113 50 0 CGAARN CN(C(=O)[C@@H]1CCCOC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297278369 200132743 /nfs/dbraw/zinc/13/27/43/200132743.db2.gz QFXBXQFTJIUWST-IKGGRYGDSA-N 0 0 287.403 3.208 50 0 CGAARN CCOC1(C(=O)N2CCc3c2cccc3F)CCCC1 ZINC000341686419 216066683 /nfs/dbraw/zinc/06/66/83/216066683.db2.gz QUSRZNJTTHGDBI-UHFFFAOYSA-N 0 0 277.339 3.064 50 0 CGAARN Cc1nc2ccccc2nc1CS[C@@H]1CCO[C@H]1C ZINC000178839387 189149644 /nfs/dbraw/zinc/14/96/44/189149644.db2.gz MOPRUHFGHHGRHC-XHDPSFHLSA-N 0 0 274.389 3.349 50 0 CGAARN CCCCNc1ccccc1C(=O)NC[C@@H]1CCCOC1 ZINC000179572036 189203059 /nfs/dbraw/zinc/20/30/59/189203059.db2.gz NOQUUMNFJJLJBM-AWEZNQCLSA-N 0 0 290.407 3.055 50 0 CGAARN CC(C)n1cc(CN(C)[C@@H](C)c2ccccn2)cn1 ZINC000183678243 189365709 /nfs/dbraw/zinc/36/57/09/189365709.db2.gz YFGPJHUCHWLJLH-ZDUSSCGKSA-N 0 0 258.369 3.052 50 0 CGAARN O=C([C@@H]1CCc2ccccc21)N1CCCC2(CCOCC2)C1 ZINC000334271084 296048213 /nfs/dbraw/zinc/04/82/13/296048213.db2.gz UDISQFDIDKBGNN-QGZVFWFLSA-N 0 0 299.414 3.136 50 0 CGAARN CCC1(CC)C[C@@H]1CNC(=O)CCC(F)(F)F ZINC000822677188 800463174 /nfs/dbraw/zinc/46/31/74/800463174.db2.gz MPSWVSIBCKKBKR-SECBINFHSA-N 0 0 251.292 3.271 50 0 CGAARN CCc1onc(C)c1NC(=O)NCC(C)(C)CC ZINC000191922931 189608592 /nfs/dbraw/zinc/60/85/92/189608592.db2.gz ROZYVQNJAAFPIU-UHFFFAOYSA-N 0 0 253.346 3.103 50 0 CGAARN FC(F)(F)c1cccc(OCCO[C@H]2CCCCO2)n1 ZINC000193423688 189643062 /nfs/dbraw/zinc/64/30/62/189643062.db2.gz KTNRWGHHJIBIND-LBPRGKRZSA-N 0 0 291.269 3.022 50 0 CGAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC000206755452 189685416 /nfs/dbraw/zinc/68/54/16/189685416.db2.gz ACAQOROWSSPTIT-PBWFPOADSA-N 0 0 279.380 3.324 50 0 CGAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1C[C@H]1C ZINC000225143684 189744674 /nfs/dbraw/zinc/74/46/74/189744674.db2.gz ZZZYFHOKTVNDJY-MXWKQRLJSA-N 0 0 274.389 3.472 50 0 CGAARN Cc1ccc(-c2noc(CN3CCCCC3)n2)cc1 ZINC000000203389 368314005 /nfs/dbraw/zinc/31/40/05/368314005.db2.gz FTLREQZYGDEJFX-UHFFFAOYSA-N 0 0 257.337 3.031 50 0 CGAARN S=C(NC1CCCCC1)N1CCc2ccccc2C1 ZINC000000228049 368320529 /nfs/dbraw/zinc/32/05/29/368320529.db2.gz WRQGZJRDFGPJKX-UHFFFAOYSA-N 0 0 274.433 3.252 50 0 CGAARN CC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000000240244 368321540 /nfs/dbraw/zinc/32/15/40/368321540.db2.gz RMIPNYZSSWUAIC-UHFFFAOYSA-N 0 0 272.279 3.036 50 0 CGAARN COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1 ZINC000000028317 368271389 /nfs/dbraw/zinc/27/13/89/368271389.db2.gz GSXMGBLRXNJNJI-FMIVXFBMSA-N 0 0 267.328 3.025 50 0 biogenic CGAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000000030659 368272316 /nfs/dbraw/zinc/27/23/16/368272316.db2.gz VXSKWDQFWQTRKZ-CYBMUJFWSA-N 0 0 283.327 3.295 50 0 CGAARN C[C@@H](Oc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000000030606 368272325 /nfs/dbraw/zinc/27/23/25/368272325.db2.gz QBMWLPCXEORDIT-CYBMUJFWSA-N 0 0 255.317 3.117 50 0 CGAARN CN(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000000030774 368272336 /nfs/dbraw/zinc/27/23/36/368272336.db2.gz RPBRKAIJZNHIOD-UHFFFAOYSA-N 0 0 253.345 3.278 50 0 CGAARN Cc1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000000038414 368274506 /nfs/dbraw/zinc/27/45/06/368274506.db2.gz ZPJRDZHJFIFIRL-UHFFFAOYSA-N 0 0 255.317 3.321 50 0 CGAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc2ccccc2oc1=O ZINC000000035695 368274650 /nfs/dbraw/zinc/27/46/50/368274650.db2.gz FKACFSUCGWVSAJ-RYUDHWBXSA-N 0 0 285.343 3.196 50 0 CGAARN COc1cccc(-c2cc(=O)c3cc(O)ccc3o2)c1 ZINC000000039301 368275665 /nfs/dbraw/zinc/27/56/65/368275665.db2.gz JTOPPXPJVKFGSW-UHFFFAOYSA-N 0 0 268.268 3.174 50 0 CGAARN CC(=O)c1cc(Cl)ccc1OC(=O)c1ccco1 ZINC000000040869 368276331 /nfs/dbraw/zinc/27/63/31/368276331.db2.gz CVOPZFPSPNGZKM-UHFFFAOYSA-N 0 0 264.664 3.355 50 0 CGAARN Cc1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1C ZINC000000044501 368277435 /nfs/dbraw/zinc/27/74/35/368277435.db2.gz MKTORKMNGKYJEB-UHFFFAOYSA-N 0 0 298.386 3.387 50 0 CGAARN Cc1cn(C(=O)c2ccc(Cl)cc2Cl)c(C)n1 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270.376 3.399 50 0 CGAARN Cc1ccc(C)c(NCC(=O)N2CCc3ccccc32)c1 ZINC000007952449 170309198 /nfs/dbraw/zinc/30/91/98/170309198.db2.gz HGKADZOIADMYQG-UHFFFAOYSA-N 0 0 280.371 3.305 50 0 CGAARN COc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1C ZINC000007951632 170309418 /nfs/dbraw/zinc/30/94/18/170309418.db2.gz QQCUPTRJQWEHLO-UHFFFAOYSA-N 0 0 283.327 3.459 50 0 CGAARN Cc1csc(NC(=O)COc2ccc(C)cc2C)n1 ZINC000007968933 170310369 /nfs/dbraw/zinc/31/03/69/170310369.db2.gz QTSLLGMUWHVZGW-UHFFFAOYSA-N 0 0 276.361 3.086 50 0 CGAARN O=C(CCc1ccco1)Nc1cccc2cccnc21 ZINC000007981823 170311261 /nfs/dbraw/zinc/31/12/61/170311261.db2.gz ALKALSUYHLCQRD-UHFFFAOYSA-N 0 0 266.300 3.399 50 0 CGAARN O=C(/C=C/c1nc2ccccc2o1)N1CCc2ccccc21 ZINC000007989431 170312063 /nfs/dbraw/zinc/31/20/63/170312063.db2.gz VVQSQIFUIBXSHM-MDZDMXLPSA-N 0 0 290.322 3.430 50 0 CGAARN Cc1nn(C)c(C)c1NC(=O)c1cc2ccccc2o1 ZINC000007990442 170312343 /nfs/dbraw/zinc/31/23/43/170312343.db2.gz HLMPHNAKBOYUBA-UHFFFAOYSA-N 0 0 269.304 3.035 50 0 CGAARN 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CC(=O)[C@H](C)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl ZINC000008299604 170329538 /nfs/dbraw/zinc/32/95/38/170329538.db2.gz INZGFZXDDUKYND-JTQLQIEISA-N 0 0 294.734 3.420 50 0 CGAARN CCOc1ccc(C(=O)Nc2cc(C)cc(C)n2)cc1 ZINC000008323970 170330934 /nfs/dbraw/zinc/33/09/34/170330934.db2.gz NNAVAMMYZQKISQ-UHFFFAOYSA-N 0 0 270.332 3.349 50 0 CGAARN CCOc1ccccc1C(=O)Nc1cccc(C)n1 ZINC000008325578 170331532 /nfs/dbraw/zinc/33/15/32/170331532.db2.gz MGUCHPZCRRXJBM-UHFFFAOYSA-N 0 0 256.305 3.041 50 0 CGAARN CNC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000008376875 170333889 /nfs/dbraw/zinc/33/38/89/170333889.db2.gz NBVBKHYPHLLNIQ-UHFFFAOYSA-N 0 0 274.370 3.384 50 0 CGAARN Cc1csc(NC(=O)[C@H](C)Nc2ccc(F)cc2)n1 ZINC000008392124 170334521 /nfs/dbraw/zinc/33/45/21/170334521.db2.gz LTKZWQKRYWZMNB-VIFPVBQESA-N 0 0 279.340 3.030 50 0 CGAARN Cc1ccc(C(=O)OCc2cn3cc(C)ccc3n2)c(O)c1 ZINC000008425210 170335919 /nfs/dbraw/zinc/33/59/19/170335919.db2.gz WXVCNQIEZHSTOJ-UHFFFAOYSA-N 0 0 296.326 3.014 50 0 CGAARN O=C(OCc1nc2ccccc2o1)c1ccccc1 ZINC000008449756 170336349 /nfs/dbraw/zinc/33/63/49/170336349.db2.gz NWCOFSYFYGFDRZ-UHFFFAOYSA-N 0 0 253.257 3.185 50 0 CGAARN CC[C@H](Oc1ccc(C)cc1)C(=O)NC1CCCC1 ZINC000008481199 170337480 /nfs/dbraw/zinc/33/74/80/170337480.db2.gz HVKAZFNEPNZSBJ-HNNXBMFYSA-N 0 0 261.365 3.211 50 0 CGAARN CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 ZINC000008602285 170342787 /nfs/dbraw/zinc/34/27/87/170342787.db2.gz SGVCXRRQZDNECS-UHFFFAOYSA-N 0 0 292.338 3.081 50 0 CGAARN COc1ccc2c(CC(=O)N[C@H](C)c3ccco3)coc2c1 ZINC000008705919 170347791 /nfs/dbraw/zinc/34/77/91/170347791.db2.gz NTAHXHCOIHSMAS-LLVKDONJSA-N 0 0 299.326 3.454 50 0 CGAARN C(=C\c1nn2c(nnc2-c2ccncc2)s1)\c1ccco1 ZINC000008715463 170349029 /nfs/dbraw/zinc/34/90/29/170349029.db2.gz NVDPUUDLHYLIRG-ARJAWSKDSA-N 0 0 295.327 3.011 50 0 CGAARN Cc1ccc(NC(=O)CCc2ccc(F)cc2)nc1 ZINC000008724429 170349527 /nfs/dbraw/zinc/34/95/27/170349527.db2.gz JPGFWRVRYPDMHI-UHFFFAOYSA-N 0 0 258.296 3.100 50 0 CGAARN Cc1ccc(O)c(NC(=O)c2ccc(N(C)C)cc2)c1 ZINC000008723328 170349683 /nfs/dbraw/zinc/34/96/83/170349683.db2.gz HANJWPAKZCYPGJ-UHFFFAOYSA-N 0 0 270.332 3.019 50 0 CGAARN O=C(NCc1ccco1)[C@H](Cc1ccccc1)n1cccc1 ZINC000008723235 170349766 /nfs/dbraw/zinc/34/97/66/170349766.db2.gz NDEJVOPBSGVHSN-KRWDZBQOSA-N 0 0 294.354 3.181 50 0 CGAARN C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccn1 ZINC000008780543 170355524 /nfs/dbraw/zinc/35/55/24/170355524.db2.gz UEPSLZGYSYNAFD-VIFPVBQESA-N 0 0 277.274 3.243 50 0 CGAARN Cc1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000008844088 170356878 /nfs/dbraw/zinc/35/68/78/170356878.db2.gz GEBNQSMYUVYSOZ-UHFFFAOYSA-N 0 0 277.327 3.489 50 0 CGAARN COc1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000008844065 170356908 /nfs/dbraw/zinc/35/69/08/170356908.db2.gz JQDIPKQEKVAYQM-UHFFFAOYSA-N 0 0 293.326 3.189 50 0 CGAARN Cc1cccnc1NC(=O)c1ncc(-c2ccc(F)cc2)o1 ZINC000008980245 170360190 /nfs/dbraw/zinc/36/01/90/170360190.db2.gz AKCXZIFTXVUVGH-UHFFFAOYSA-N 0 0 297.289 3.436 50 0 CGAARN 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O=C(Nc1ccccc1O)[C@@H]1C[C@H]1c1ccccc1F ZINC000009337081 170372570 /nfs/dbraw/zinc/37/25/70/170372570.db2.gz FTKFDOKQBDSHPW-NWDGAFQWSA-N 0 0 271.291 3.274 50 0 CGAARN O=C(CCc1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000009363883 170373799 /nfs/dbraw/zinc/37/37/99/170373799.db2.gz FMDRLRDPERCKFE-UHFFFAOYSA-N 0 0 292.382 3.459 50 0 CGAARN COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1 ZINC000009378699 170375023 /nfs/dbraw/zinc/37/50/23/170375023.db2.gz VJLLZFNBPLHXLL-LBPRGKRZSA-N 0 0 270.332 3.134 50 0 CGAARN Cc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1 ZINC000009378290 170375151 /nfs/dbraw/zinc/37/51/51/170375151.db2.gz BWNMEECNIABUKR-UHFFFAOYSA-N 0 0 280.331 3.193 50 0 CGAARN CCSc1nnc(NC(=O)c2ccc(C)c(F)c2)s1 ZINC000009377043 170375319 /nfs/dbraw/zinc/37/53/19/170375319.db2.gz SQPSDRDSMXULMD-UHFFFAOYSA-N 0 0 297.380 3.350 50 0 CGAARN CCOC(=O)c1cccc(NC(=O)c2sccc2C)c1 ZINC000009387555 170375519 /nfs/dbraw/zinc/37/55/19/170375519.db2.gz XGKGZHZDCQTOQR-UHFFFAOYSA-N 0 0 289.356 3.486 50 0 CGAARN O=C(Nc1ccc(F)c(F)c1)c1cnc2ccccc2n1 ZINC000009385075 170375679 /nfs/dbraw/zinc/37/56/79/170375679.db2.gz PUUVCLNXTGGTST-UHFFFAOYSA-N 0 0 285.253 3.160 50 0 CGAARN C[C@@H](NC(=O)CC1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000009478955 170377965 /nfs/dbraw/zinc/37/79/65/170377965.db2.gz LHZHGDQZMMOKRU-CYBMUJFWSA-N 0 0 298.390 3.025 50 0 CGAARN C[C@H](Sc1nncs1)C(=O)c1ccc2c(c1)CCC2 ZINC000009498664 170379246 /nfs/dbraw/zinc/37/92/46/170379246.db2.gz UOTCFVPSIPEKKF-VIFPVBQESA-N 0 0 290.413 3.390 50 0 CGAARN O=C(CN1CCCC1)Nc1cc(Cl)ccc1Cl ZINC000009499649 170379314 /nfs/dbraw/zinc/37/93/14/170379314.db2.gz ATHWVNIQMKIVTB-UHFFFAOYSA-N 0 0 273.163 3.028 50 0 CGAARN Cc1nn(C)c(C)c1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000009514511 170379959 /nfs/dbraw/zinc/37/99/59/170379959.db2.gz LJSQGKDWGANKDQ-BQYQJAHWSA-N 0 0 289.766 3.342 50 0 CGAARN Nc1nnc(SCc2coc(-c3ccccc3)n2)s1 ZINC000009530949 170380561 /nfs/dbraw/zinc/38/05/61/170380561.db2.gz UXNXBLWYSZDJJP-UHFFFAOYSA-N 0 0 290.373 3.068 50 0 CGAARN 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/nfs/dbraw/zinc/56/14/97/169561497.db2.gz OOPMTXOMEHHFKS-UHFFFAOYSA-N 0 0 283.736 3.162 50 0 CGAARN Cn1cnc2cc(C(F)(F)F)cc(Br)c21 ZINC000200235196 542282944 /nfs/dbraw/zinc/28/29/44/542282944.db2.gz TVFCEADQYIAZOM-UHFFFAOYSA-N 0 0 279.059 3.355 50 0 CGAARN Cc1csc(NC(=O)c2cccc(Br)c2)n1 ZINC000000253250 169588068 /nfs/dbraw/zinc/58/80/68/169588068.db2.gz LRTUMJPONGCFAS-UHFFFAOYSA-N 0 0 297.177 3.466 50 0 CGAARN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000000258541 169589461 /nfs/dbraw/zinc/58/94/61/169589461.db2.gz HEIPFULVZGXCFU-UHFFFAOYSA-N 0 0 269.300 3.150 50 0 biogenic CGAARN COc1ccc2occ(C(=O)c3ccc(F)cc3)c(=O)c2c1 ZINC000000265003 169591647 /nfs/dbraw/zinc/59/16/47/169591647.db2.gz BLUYGPLADOIZDT-UHFFFAOYSA-N 0 0 298.269 3.172 50 0 CGAARN CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000000312563 169605349 /nfs/dbraw/zinc/60/53/49/169605349.db2.gz DVWXDNPHGFQSFV-UHFFFAOYSA-N 0 0 298.342 3.296 50 0 CGAARN Cc1ccnc(NC(=O)Cc2ccccc2Cl)c1 ZINC000000372208 169621260 /nfs/dbraw/zinc/62/12/60/169621260.db2.gz HSXUIAMCNPAWGW-UHFFFAOYSA-N 0 0 260.724 3.225 50 0 CGAARN Clc1ccc(NCc2nnc3n2CCCCC3)cc1 ZINC000000390646 169627699 /nfs/dbraw/zinc/62/76/99/169627699.db2.gz YQKRIMJFYVFGDR-UHFFFAOYSA-N 0 0 276.771 3.270 50 0 CGAARN CCOC(=O)c1ccc(OC)c(OCc2ccccc2)c1 ZINC000000391613 169627796 /nfs/dbraw/zinc/62/77/96/169627796.db2.gz IBBLCEDNTLDNJV-UHFFFAOYSA-N 0 0 286.327 3.451 50 0 CGAARN COc1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000000397550 169630110 /nfs/dbraw/zinc/63/01/10/169630110.db2.gz JDOCPHDWYVOXMU-UHFFFAOYSA-N 0 0 299.330 3.298 50 0 CGAARN O=C(NCc1cccc(Cl)c1)NC1CCCCC1 ZINC000000398721 169630583 /nfs/dbraw/zinc/63/05/83/169630583.db2.gz LEYQCHKCZKEZTF-UHFFFAOYSA-N 0 0 266.772 3.472 50 0 CGAARN Clc1ccccc1OCc1nc(-c2ccccn2)no1 ZINC000000436196 169639961 /nfs/dbraw/zinc/63/99/61/169639961.db2.gz QBEHDXHXRCBGAD-UHFFFAOYSA-N 0 0 287.706 3.364 50 0 CGAARN CC[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1 ZINC000000443884 169642265 /nfs/dbraw/zinc/64/22/65/169642265.db2.gz 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0 259.353 3.343 50 0 CGAARN CO[C@H](C)c1cccc(-c2ccc(F)c(C(N)=O)c2)c1 ZINC000426622917 533109775 /nfs/dbraw/zinc/10/97/75/533109775.db2.gz JZTOQEDHWRKAFQ-SNVBAGLBSA-N 0 0 273.307 3.299 50 0 CGAARN O=c1[nH]c(-c2nccs2)nc2cc(Cl)c(Cl)cc12 ZINC000225746801 285194617 /nfs/dbraw/zinc/19/46/17/285194617.db2.gz VQOLQWADYABNEN-UHFFFAOYSA-N 0 0 298.154 3.353 50 0 CGAARN Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1 ZINC000309206174 542425037 /nfs/dbraw/zinc/42/50/37/542425037.db2.gz CKDZTPGNNTWOIU-UHFFFAOYSA-N 0 0 256.092 3.158 50 0 CGAARN COc1ccc(-c2nnc(SCC(C)C)o2)cc1 ZINC000003283064 533202299 /nfs/dbraw/zinc/20/22/99/533202299.db2.gz FVYHWIBDYLBPNW-UHFFFAOYSA-N 0 0 264.350 3.493 50 0 CGAARN COC(=O)[C@H](C)S[C@@H](C)c1cccc(OC)c1 ZINC000096459664 533210612 /nfs/dbraw/zinc/21/06/12/533210612.db2.gz HNSOUYNMVNBNLN-UWVGGRQHSA-N 0 0 254.351 3.051 50 0 CGAARN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)cn1 ZINC000000380452 260000167 /nfs/dbraw/zinc/00/01/67/260000167.db2.gz UPXHHIVSOOLFEN-UHFFFAOYSA-N 0 0 292.722 3.005 50 0 CGAARN COc1ccc(OCc2csc(C)n2)cc1OC ZINC000096429057 256787965 /nfs/dbraw/zinc/78/79/65/256787965.db2.gz XYILLUXYYDDCMG-UHFFFAOYSA-N 0 0 265.334 3.048 50 0 CGAARN Cn1cc(-c2csc(-c3ccnc(Cl)c3)n2)cn1 ZINC000096421300 256789308 /nfs/dbraw/zinc/78/93/08/256789308.db2.gz VYRMIVADDJHHBF-UHFFFAOYSA-N 0 0 276.752 3.259 50 0 CGAARN CSCC[C@@H](C)N(C)C(=O)Nc1cccc(F)c1 ZINC000096413069 256790110 /nfs/dbraw/zinc/79/01/10/256790110.db2.gz JTZNOUZZGLVYLN-SNVBAGLBSA-N 0 0 270.373 3.431 50 0 CGAARN COc1ccc(CCC(=O)NCc2ccc(C)cc2)cc1 ZINC000003282313 256872147 /nfs/dbraw/zinc/87/21/47/256872147.db2.gz WEUORROLKCEEJD-UHFFFAOYSA-N 0 0 283.371 3.253 50 0 CGAARN Cc1nc(C(C)C)sc1-c1nc([C@@H]2CCOC2)no1 ZINC000096166696 256886428 /nfs/dbraw/zinc/88/64/28/256886428.db2.gz JFUVELLZCMJGNP-SECBINFHSA-N 0 0 279.365 3.129 50 0 CGAARN O=Cc1cc(Br)cc(Br)c1 ZINC000002530981 296443094 /nfs/dbraw/zinc/44/30/94/296443094.db2.gz ZLDMZIXUGCGKMB-UHFFFAOYSA-N 0 0 263.916 3.024 50 0 CGAARN Cc1ccc(OCC(=O)N(C)Cc2ccccc2)c(C)c1 ZINC000000577683 169672009 /nfs/dbraw/zinc/67/20/09/169672009.db2.gz AAXCCXYYODVMKW-UHFFFAOYSA-N 0 0 283.371 3.341 50 0 CGAARN COc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000000578059 169672431 /nfs/dbraw/zinc/67/24/31/169672431.db2.gz QANIOCTWVUAMON-UHFFFAOYSA-N 0 0 273.357 3.426 50 0 CGAARN Cc1ccccc1NCc1nc2ccccc2n1C ZINC000000615464 169675364 /nfs/dbraw/zinc/67/53/64/169675364.db2.gz RDYNZGXJQGAHHV-UHFFFAOYSA-N 0 0 251.333 3.494 50 0 CGAARN CC(=O)Nc1cccc(NC(=O)c2csc(C)c2)c1 ZINC000001055857 169688383 /nfs/dbraw/zinc/68/83/83/169688383.db2.gz FDXSVSUGQNVKMI-UHFFFAOYSA-N 0 0 274.345 3.267 50 0 CGAARN CC(=O)c1ccc(NCC(=O)c2ccccc2)cc1 ZINC000000874282 169682189 /nfs/dbraw/zinc/68/21/89/169682189.db2.gz ZNEGLMYEEZYURI-UHFFFAOYSA-N 0 0 253.301 3.184 50 0 CGAARN CC(C)CC[S@@](=O)[C@H](C)c1nnc(CC(C)C)o1 ZINC000095412805 184971525 /nfs/dbraw/zinc/97/15/25/184971525.db2.gz DFUIVLCBAVCQOI-ZMZPIMSZSA-N 0 0 272.414 3.124 50 0 CGAARN CCC(CC)[S@@](=O)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000095414524 184972696 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/nfs/dbraw/zinc/65/81/70/195658170.db2.gz IWWDODWIAPSYSR-UHFFFAOYSA-N 0 0 285.746 3.026 50 0 CGAARN CSCCC(=O)Nc1ccc2nc(C)sc2c1 ZINC000007670306 533531097 /nfs/dbraw/zinc/53/10/97/533531097.db2.gz SZGCPICVDHHXOM-UHFFFAOYSA-N 0 0 266.391 3.296 50 0 CGAARN COc1cc(C(C)=O)ccc1SCC1CCOCC1 ZINC000096483409 533561605 /nfs/dbraw/zinc/56/16/05/533561605.db2.gz CJVNNIAQLZNTPN-UHFFFAOYSA-N 0 0 280.389 3.417 50 0 CGAARN O=S(=O)(c1ccc(Br)cc1)C1CCCC1 ZINC000071494886 296467681 /nfs/dbraw/zinc/46/76/81/296467681.db2.gz FEVMOUOFLLDHPH-UHFFFAOYSA-N 0 0 289.194 3.165 50 0 CGAARN C[C@@H]1CCC[C@H](C)[C@H]1Nc1ncc(Br)cn1 ZINC000252670443 296470468 /nfs/dbraw/zinc/47/04/68/296470468.db2.gz KPUWPCWZWSOTLF-JZYVYDRUSA-N 0 0 284.201 3.476 50 0 CGAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(N)ccc1F ZINC000019736610 391937474 /nfs/dbraw/zinc/93/74/74/391937474.db2.gz WSBVDUAHXIXGPL-OAHLLOKOSA-N 0 0 288.322 3.204 50 0 CGAARN Cc1cccc(N2N[C@]3(CCC[C@@H](C)C3)NC2=S)c1C ZINC000000382320 391909014 /nfs/dbraw/zinc/90/90/14/391909014.db2.gz CDIBYUNHSPSUBW-BZNIZROVSA-N 0 0 289.448 3.409 50 0 CGAARN Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000003388394 391917523 /nfs/dbraw/zinc/91/75/23/391917523.db2.gz FBJBHYFMTNHOQB-CQSZACIVSA-N 0 0 297.354 3.029 50 0 CGAARN O=C(Nc1ccccc1F)c1noc2c1CCCCC2 ZINC000020508124 391939595 /nfs/dbraw/zinc/93/95/95/391939595.db2.gz QFLYQUZRRXTGOL-UHFFFAOYSA-N 0 0 274.295 3.335 50 0 CGAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccncc2)n1 ZINC000025015117 391947871 /nfs/dbraw/zinc/94/78/71/391947871.db2.gz VDSKLHCLHIFAFA-UHFFFAOYSA-N 0 0 292.342 3.136 50 0 CGAARN Cc1cc(C)c(NC(=O)[C@@H](C)n2cccn2)c(Cl)c1 ZINC000028271849 391954322 /nfs/dbraw/zinc/95/43/22/391954322.db2.gz BVUIGHPOHLOGHB-LLVKDONJSA-N 0 0 277.755 3.353 50 0 CGAARN Cc1noc(C)c1CCC(=O)NC1(c2ccccc2)CCC1 ZINC000053473228 392084177 /nfs/dbraw/zinc/08/41/77/392084177.db2.gz MYNHYWMEEPOADN-UHFFFAOYSA-N 0 0 298.386 3.420 50 0 CGAARN Cc1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000048926502 392027484 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CCCC[C@H](CC)C(=O)N(C)Cc1ccnn1CC ZINC000028219090 368881606 /nfs/dbraw/zinc/88/16/06/368881606.db2.gz VZCKXQQONNWYQW-ZDUSSCGKSA-N 0 0 265.401 3.078 50 0 CGAARN C[C@@H](NC(=O)C1CCC1)c1ccc(-n2cccc2)cc1 ZINC000028221111 368881893 /nfs/dbraw/zinc/88/18/93/368881893.db2.gz LBTDJYCISISSHZ-CYBMUJFWSA-N 0 0 268.360 3.455 50 0 CGAARN Cc1ccc(S(=O)(=O)N(C)c2ccccc2Cl)cc1 ZINC000028580375 368887729 /nfs/dbraw/zinc/88/77/29/368887729.db2.gz FTAQOCVZYQXGCH-UHFFFAOYSA-N 0 0 295.791 3.474 50 0 CGAARN CC[C@H](C)NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000028576864 368887926 /nfs/dbraw/zinc/88/79/26/368887926.db2.gz UMNNSPRCEZVHRC-NSHDSACASA-N 0 0 291.782 3.113 50 0 CGAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000028580356 368887976 /nfs/dbraw/zinc/88/79/76/368887976.db2.gz WHUZMDXNODMIIP-UHFFFAOYSA-N 0 0 281.764 3.165 50 0 CGAARN C[C@@H]1c2ccsc2CCN1Cc1nc(C2CC2)no1 ZINC000029455608 368895084 /nfs/dbraw/zinc/89/50/84/368895084.db2.gz BMYYZGXBNGUDDE-SECBINFHSA-N 0 0 275.377 3.128 50 0 CGAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000030376428 368902320 /nfs/dbraw/zinc/90/23/20/368902320.db2.gz YCXVPCZAIRRFEZ-RISCZKNCSA-N 0 0 287.363 3.320 50 0 CGAARN NC(=O)[C@H](c1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000030630782 368904893 /nfs/dbraw/zinc/90/48/93/368904893.db2.gz WXGBJRCLYCGUBY-SFHVURJKSA-N 0 0 292.382 3.002 50 0 CGAARN O=C(NC(C1CC1)C1CC1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000030801290 368906236 /nfs/dbraw/zinc/90/62/36/368906236.db2.gz SHBXORDNOBQWDM-CABCVRRESA-N 0 0 273.351 3.234 50 0 CGAARN CCc1ccccc1NC(=O)CCc1nc(C(C)C)no1 ZINC000030720898 368906246 /nfs/dbraw/zinc/90/62/46/368906246.db2.gz ACFNXHLSIUHXGQ-UHFFFAOYSA-N 0 0 287.363 3.327 50 0 CGAARN Cc1ccccc1-c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000030823185 368906767 /nfs/dbraw/zinc/90/67/67/368906767.db2.gz BAXFTHMOLHMKQH-UHFFFAOYSA-N 0 0 280.283 3.441 50 0 CGAARN COc1ccc([C@H](C)NC(=O)NC2CCCC2)cc1F ZINC000030991931 368910234 /nfs/dbraw/zinc/91/02/34/368910234.db2.gz VKJBEHYOGWVKRU-JTQLQIEISA-N 0 0 280.343 3.137 50 0 CGAARN C[C@H]1Cc2ccccc2N1Cc1nnsc1Cl ZINC000025472761 368847850 /nfs/dbraw/zinc/84/78/50/368847850.db2.gz MLUBPMMSAHYDBW-QMMMGPOBSA-N 0 0 265.769 3.143 50 0 CGAARN COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1C ZINC000025539490 368849079 /nfs/dbraw/zinc/84/90/79/368849079.db2.gz GRMINUZWHVOCIH-PKNBQFBNSA-N 0 0 281.355 3.333 50 0 CGAARN O=C(Nc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000034051223 368971191 /nfs/dbraw/zinc/97/11/91/368971191.db2.gz DWYHJOLGUSRZSO-OAHLLOKOSA-N 0 0 281.359 3.087 50 0 CGAARN CCOC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000034140221 368972356 /nfs/dbraw/zinc/97/23/56/368972356.db2.gz NTEPQGVLMATGGX-UHFFFAOYSA-N 0 0 265.309 3.210 50 0 CGAARN CC(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000034101880 368972882 /nfs/dbraw/zinc/97/28/82/368972882.db2.gz HCGHXQWZYOHIRH-UHFFFAOYSA-N 0 0 274.703 3.496 50 0 CGAARN Cc1cccc(C(=O)NCC(C)(C)c2ccccc2)n1 ZINC000032474336 368931108 /nfs/dbraw/zinc/93/11/08/368931108.db2.gz MSWJZRHKBINCGJ-UHFFFAOYSA-N 0 0 268.360 3.098 50 0 CGAARN Cc1ccccc1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000032488673 368932238 /nfs/dbraw/zinc/93/22/38/368932238.db2.gz XBOZBDWQHRKSTN-UHFFFAOYSA-N 0 0 264.328 3.406 50 0 CGAARN Nc1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000032501656 368932438 /nfs/dbraw/zinc/93/24/38/368932438.db2.gz UTAGQADTYDMWCA-UHFFFAOYSA-N 0 0 270.723 3.374 50 0 CGAARN Cc1cc(CN2CCCC[C@@H]2c2nccs2)no1 ZINC000032534917 368934664 /nfs/dbraw/zinc/93/46/64/368934664.db2.gz ZPJQJGNOJIMEMF-GFCCVEGCSA-N 0 0 263.366 3.167 50 0 CGAARN CCn1nc(C)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1C ZINC000032610755 368938064 /nfs/dbraw/zinc/93/80/64/368938064.db2.gz QERPTAANGMPMCI-CABCVRRESA-N 0 0 283.375 3.262 50 0 CGAARN C[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000032611236 368938123 /nfs/dbraw/zinc/93/81/23/368938123.db2.gz DEIBFWRAPPQLCC-SNVBAGLBSA-N 0 0 275.377 3.153 50 0 CGAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(F)cc1F ZINC000032672240 368941077 /nfs/dbraw/zinc/94/10/77/368941077.db2.gz JIVNTEWULIMARB-QWRGUYRKSA-N 0 0 283.318 3.133 50 0 CGAARN O=C(C[C@@H]1C=CCC1)Nc1nc(-c2cccnc2)cs1 ZINC000032739226 368942290 /nfs/dbraw/zinc/94/22/90/368942290.db2.gz BOOIQZKODAEZGN-LLVKDONJSA-N 0 0 285.372 3.500 50 0 CGAARN C[C@H]1C[C@H](SCc2ccc(Cl)cc2)C(=O)O1 ZINC000032736154 368942945 /nfs/dbraw/zinc/94/29/45/368942945.db2.gz ONNIVIJJCJOLFB-KWQFWETISA-N 0 0 256.754 3.277 50 0 CGAARN CC(C)(C)c1cc(NC(=O)CNc2ccccc2F)on1 ZINC000032753226 368943054 /nfs/dbraw/zinc/94/30/54/368943054.db2.gz BBJOVYHRHPOMNH-UHFFFAOYSA-N 0 0 291.326 3.162 50 0 CGAARN CC(=O)Nc1ccc(NC(=O)Cc2ccc(C)cc2)cc1C ZINC000032753758 368943913 /nfs/dbraw/zinc/94/39/13/368943913.db2.gz TUEJXLQXQZDNHH-UHFFFAOYSA-N 0 0 296.370 3.443 50 0 CGAARN COC(=O)c1sccc1NC(=O)c1cccc(C)c1C ZINC000032768225 368943990 /nfs/dbraw/zinc/94/39/90/368943990.db2.gz DHTWPSDHVVMHSB-UHFFFAOYSA-N 0 0 289.356 3.404 50 0 CGAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CC(C)(C)C ZINC000032778031 368944241 /nfs/dbraw/zinc/94/42/41/368944241.db2.gz KYWMUUWVIXBSEZ-UHFFFAOYSA-N 0 0 285.391 3.267 50 0 CGAARN CCOc1ccc([C@@H](C)NC(=O)C2CCC2)cc1OC ZINC000032830867 368946566 /nfs/dbraw/zinc/94/65/66/368946566.db2.gz ZAMUJOOPOZQBPV-LLVKDONJSA-N 0 0 277.364 3.071 50 0 CGAARN CSc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 ZINC000032815674 368946863 /nfs/dbraw/zinc/94/68/63/368946863.db2.gz VKLGTSJZFIHNLJ-LBPRGKRZSA-N 0 0 265.378 3.306 50 0 CGAARN Fc1cccc(CSc2nncn2Cc2ccco2)c1 ZINC000032870604 368948895 /nfs/dbraw/zinc/94/88/95/368948895.db2.gz DVAHWMKGSCJYOL-UHFFFAOYSA-N 0 0 289.335 3.351 50 0 CGAARN COc1ccc(OC)c([C@H](C)NC(=O)NC2CCCC2)c1 ZINC000032862729 368949621 /nfs/dbraw/zinc/94/96/21/368949621.db2.gz FTEQBVLYWSBYSO-NSHDSACASA-N 0 0 292.379 3.007 50 0 CGAARN C[C@@H](OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000032913944 368952429 /nfs/dbraw/zinc/95/24/29/368952429.db2.gz MWUYTLZKKSCUBW-LSDHHAIUSA-N 0 0 283.371 3.469 50 0 CGAARN Cc1ccc(CNC(=O)c2cc3ccccn3c2)cc1 ZINC000033138678 368957950 /nfs/dbraw/zinc/95/79/50/368957950.db2.gz MMYLVOJTZOGHHP-UHFFFAOYSA-N 0 0 264.328 3.178 50 0 CGAARN CC(C)CNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033297986 368960781 /nfs/dbraw/zinc/96/07/81/368960781.db2.gz CJPDYIAIKHANBK-UHFFFAOYSA-N 0 0 299.399 3.473 50 0 CGAARN CCSc1nsc(NC(=O)c2cccc(C)c2)n1 ZINC000033254482 368960856 /nfs/dbraw/zinc/96/08/56/368960856.db2.gz MDHIIIAZUXHXQP-UHFFFAOYSA-N 0 0 279.390 3.211 50 0 CGAARN C[NH+](C)Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000033427949 368965556 /nfs/dbraw/zinc/96/55/56/368965556.db2.gz CFEUKVSNERIXTP-UHFFFAOYSA-N 0 0 255.317 3.113 50 0 CGAARN COC(=O)c1ccc2[nH]c(-c3cccs3)nc2c1 ZINC000033495422 368966430 /nfs/dbraw/zinc/96/64/30/368966430.db2.gz NZNZLEFPASZPRT-UHFFFAOYSA-N 0 0 258.302 3.078 50 0 CGAARN O=c1nc(C[NH+]2CCCCCCC2)[n-]c2ccsc21 ZINC000036386072 369019422 /nfs/dbraw/zinc/01/94/22/369019422.db2.gz XCODOEHBXXFEEN-UHFFFAOYSA-N 0 0 277.393 3.163 50 0 CGAARN O=C(CSCCc1ccccc1)Nc1nccs1 ZINC000036394043 369019603 /nfs/dbraw/zinc/01/96/03/369019603.db2.gz AKMVUSRKKNKTBN-UHFFFAOYSA-N 0 0 278.402 3.058 50 0 CGAARN CC(C)c1noc(CCC(=O)N[C@H](C)c2ccccc2)n1 ZINC000036390805 369019723 /nfs/dbraw/zinc/01/97/23/369019723.db2.gz RTPVYYITVGKIAY-GFCCVEGCSA-N 0 0 287.363 3.003 50 0 CGAARN CC(C)N(CCO)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000036795546 369028875 /nfs/dbraw/zinc/02/88/75/369028875.db2.gz LLMQTQZNHVMCHF-UHFFFAOYSA-N 0 0 291.178 3.228 50 0 CGAARN O=C(CCC1CCCC1)NCCc1nc2ccccc2[nH]1 ZINC000035038171 368992210 /nfs/dbraw/zinc/99/22/10/368992210.db2.gz OZRDRCCGXMBIPM-UHFFFAOYSA-N 0 0 285.391 3.192 50 0 CGAARN CCN(C(=O)c1ccc(Br)cc1)C1CC1 ZINC000037023064 369053140 /nfs/dbraw/zinc/05/31/40/369053140.db2.gz MEEGSPRZRZTAKQ-UHFFFAOYSA-N 0 0 268.154 3.074 50 0 CGAARN Cc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1 ZINC000039338918 369149819 /nfs/dbraw/zinc/14/98/19/369149819.db2.gz MBXZEYGGYHAADA-UHFFFAOYSA-N 0 0 277.327 3.433 50 0 CGAARN CC(C)(C)c1nc(CSc2ccc(O)cc2)no1 ZINC000037995849 369135810 /nfs/dbraw/zinc/13/58/10/369135810.db2.gz VYXQPLXQTSUYIB-UHFFFAOYSA-N 0 0 264.350 3.365 50 0 CGAARN COc1ccc(C(=O)c2ccccc2)cc1NC(=O)C1CC1 ZINC000041365872 369182528 /nfs/dbraw/zinc/18/25/28/369182528.db2.gz RMIOOGRORWQKIH-UHFFFAOYSA-N 0 0 295.338 3.275 50 0 CGAARN Cc1c(Cl)cccc1NC(=O)N(C)Cc1cnn(C)c1 ZINC000040525636 369159723 /nfs/dbraw/zinc/15/97/23/369159723.db2.gz VFSICGNCOQCRMG-UHFFFAOYSA-N 0 0 292.770 3.046 50 0 CGAARN Cc1nc2cccc(NC(=O)COc3ccc(C)cc3)c2o1 ZINC000041347336 369183230 /nfs/dbraw/zinc/18/32/30/369183230.db2.gz VNSJWOOKAUPFGD-UHFFFAOYSA-N 0 0 296.326 3.462 50 0 CGAARN O[C@H](c1ccc(Br)s1)C(F)(F)F ZINC000042268810 369210484 /nfs/dbraw/zinc/21/04/84/369210484.db2.gz XGACUFQKJSMHLR-RXMQYKEDSA-N 0 0 261.062 3.106 50 0 CGAARN O=C(NCc1ccco1)N1CCC[C@H]1c1ccsc1 ZINC000042840145 369234604 /nfs/dbraw/zinc/23/46/04/369234604.db2.gz RBISNRFJZYPISN-ZDUSSCGKSA-N 0 0 276.361 3.388 50 0 CGAARN CCOc1ccc([C@H]2CCCN2Cc2nc(C)no2)cc1 ZINC000042507113 369223029 /nfs/dbraw/zinc/22/30/29/369223029.db2.gz MJNQLAZWIZRWSZ-OAHLLOKOSA-N 0 0 287.363 3.114 50 0 CGAARN Cc1noc(NC(=O)c2sc3ccccc3c2Cl)n1 ZINC000042703316 369229133 /nfs/dbraw/zinc/22/91/33/369229133.db2.gz KVWIFGHAYXZPHU-UHFFFAOYSA-N 0 0 293.735 3.498 50 0 CGAARN CC/C=C(/C)C(=O)NCc1ccc(Br)s1 ZINC000042725792 369229920 /nfs/dbraw/zinc/22/99/20/369229920.db2.gz PJCZXNKCGOGVRK-YWEYNIOJSA-N 0 0 288.210 3.483 50 0 CGAARN Cc1cc(Br)cnc1NCc1cccnc1 ZINC000042784036 369232111 /nfs/dbraw/zinc/23/21/11/369232111.db2.gz QVBNLPPBVYNJAB-UHFFFAOYSA-N 0 0 278.153 3.160 50 0 CGAARN COc1cc(CNC(=O)Nc2cccc(C)c2C)ccn1 ZINC000043136102 369241803 /nfs/dbraw/zinc/24/18/03/369241803.db2.gz QOJKXARZXNDFHE-UHFFFAOYSA-N 0 0 285.347 3.029 50 0 CGAARN COc1cc(CNC(=O)Nc2ccccc2Cl)ccn1 ZINC000043146531 369242597 /nfs/dbraw/zinc/24/25/97/369242597.db2.gz ALLOJBYRVHJIJJ-UHFFFAOYSA-N 0 0 291.738 3.065 50 0 CGAARN O=C(NCC1CCC1)Nc1cccc2cnccc21 ZINC000043161015 369242916 /nfs/dbraw/zinc/24/29/16/369242916.db2.gz CYZQZCAPZKVDAV-UHFFFAOYSA-N 0 0 255.321 3.156 50 0 CGAARN COc1ccc(CO[C@H]2CCC=CCCC2=O)cc1 ZINC000043199238 369244378 /nfs/dbraw/zinc/24/43/78/369244378.db2.gz 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CCC/C=C/[C@@H](C(=O)[O-])[NH+]1CCC(c2ccncc2)CC1 ZINC000095375811 370181244 /nfs/dbraw/zinc/18/12/44/370181244.db2.gz MKTHTXFROISDFD-APHBUQMISA-N 0 0 288.391 3.071 50 0 CGAARN Cc1cccnc1[C@H](C)Nc1cc(C(C)C)ncn1 ZINC000095375404 370181515 /nfs/dbraw/zinc/18/15/15/370181515.db2.gz VISTVGUTANZYIM-LBPRGKRZSA-N 0 0 256.353 3.477 50 0 CGAARN O=C(N[C@H](c1cc2ccccc2o1)C1CC1)C1CC1 ZINC000095394807 370182597 /nfs/dbraw/zinc/18/25/97/370182597.db2.gz TWPHBOGOFOHYPM-HNNXBMFYSA-N 0 0 255.317 3.410 50 0 CGAARN CCc1ccc(OCC(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000095404761 370183512 /nfs/dbraw/zinc/18/35/12/370183512.db2.gz AQTNAEAQVUQOFA-KBPBESRZSA-N 0 0 275.392 3.275 50 0 CGAARN Fc1cc(F)c(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC000093507383 370137474 /nfs/dbraw/zinc/13/74/74/370137474.db2.gz XEZSXGNRIIRRID-BMIGLBTASA-N 0 0 285.309 3.105 50 0 CGAARN Cc1cnc(COC(=O)C[C@@H](C)c2ccccc2F)o1 ZINC000095405268 370184088 /nfs/dbraw/zinc/18/40/88/370184088.db2.gz QPKHNVDHBCBYHU-SNVBAGLBSA-N 0 0 277.295 3.359 50 0 CGAARN 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Cc1noc(C)c1[C@H](C)CC(=O)Nc1ncccc1Cl ZINC000097046938 370218822 /nfs/dbraw/zinc/21/88/22/370218822.db2.gz BSHOKEISQFZVIM-MRVPVSSYSA-N 0 0 293.754 3.472 50 0 CGAARN Cc1cc(N2CCC[C@@H]2CC(=O)c2ccccc2)ncn1 ZINC000097047914 370218976 /nfs/dbraw/zinc/21/89/76/370218976.db2.gz JOMWRDGAYUDSDV-OAHLLOKOSA-N 0 0 281.359 3.027 50 0 CGAARN Cc1ccc(NCc2ccsc2)cc1S(C)(=O)=O ZINC000097051276 370220149 /nfs/dbraw/zinc/22/01/49/370220149.db2.gz GPBCYNDYNITLGC-UHFFFAOYSA-N 0 0 281.402 3.072 50 0 CGAARN O=C(CCn1ccc2sccc2c1=O)Nc1ccccc1 ZINC000097052786 370220965 /nfs/dbraw/zinc/22/09/65/370220965.db2.gz WZNILHOEKDKNRF-UHFFFAOYSA-N 0 0 298.367 3.092 50 0 CGAARN CC(C)(C)Oc1c(F)cc(NC(=O)c2ccon2)cc1F ZINC000097082949 370221852 /nfs/dbraw/zinc/22/18/52/370221852.db2.gz DAMYFKAYRSAXKA-UHFFFAOYSA-N 0 0 296.273 3.382 50 0 CGAARN CC(=O)c1ccc(NC(=O)NCc2ccco2)cc1Cl ZINC000097084164 370223760 /nfs/dbraw/zinc/22/37/60/370223760.db2.gz QQNWGZWOPBCXJA-UHFFFAOYSA-N 0 0 292.722 3.457 50 0 CGAARN 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370193781 /nfs/dbraw/zinc/19/37/81/370193781.db2.gz OJMBWQHOZHMRPX-UHFFFAOYSA-N 0 0 255.383 3.097 50 0 CGAARN Cc1occc1C(=O)NCCCSCC(C)C ZINC000095440556 370194265 /nfs/dbraw/zinc/19/42/65/370194265.db2.gz CDRREQITFKBGCH-UHFFFAOYSA-N 0 0 255.383 3.097 50 0 CGAARN FC(F)(F)c1nnc(NCc2ccccc2)s1 ZINC000095464172 370197897 /nfs/dbraw/zinc/19/78/97/370197897.db2.gz OWVHZQAMZNNXFD-UHFFFAOYSA-N 0 0 259.256 3.169 50 0 CGAARN c1cc(-c2ccnc3nc(CCC4CCCC4)nn32)ccn1 ZINC000095476787 370199644 /nfs/dbraw/zinc/19/96/44/370199644.db2.gz UMVGBHAFJNBISC-UHFFFAOYSA-N 0 0 293.374 3.309 50 0 CGAARN Cn1ccnc1CNc1cc(F)ccc1N1CCCCC1 ZINC000095995850 370202962 /nfs/dbraw/zinc/20/29/62/370202962.db2.gz MIZBGFQSFSCFEH-UHFFFAOYSA-N 0 0 288.370 3.162 50 0 CGAARN c1ccc([C@@H](C[C@@H]2CCOC2)Nc2ncccn2)cc1 ZINC000095973502 370203376 /nfs/dbraw/zinc/20/33/76/370203376.db2.gz UBVLIWCWVROTRA-DZGCQCFKSA-N 0 0 269.348 3.056 50 0 CGAARN Cc1oc(C(C)C)cc1-c1nc([C@H]2CCOC2)no1 ZINC000096153033 370204376 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392268791 /nfs/dbraw/zinc/26/87/91/392268791.db2.gz XXDHNSKORHFRAY-NEPJUHHUSA-N 0 0 289.762 3.494 50 0 CGAARN Cc1cc2c(cc1C(=O)NC1CCCCC1)OCCCO2 ZINC000064604795 292001394 /nfs/dbraw/zinc/00/13/94/292001394.db2.gz LHQBDJDWUNQRQH-UHFFFAOYSA-N 0 0 289.375 3.219 50 0 CGAARN O=C(Cc1cccc(OC(F)(F)F)c1)NCc1ccoc1 ZINC000178618321 392681949 /nfs/dbraw/zinc/68/19/49/392681949.db2.gz DREMVBBROQREJC-UHFFFAOYSA-N 0 0 299.248 3.037 50 0 CGAARN O=C(Nc1ccsc1)Nc1nnc(C(F)F)s1 ZINC000191319417 392828666 /nfs/dbraw/zinc/82/86/66/392828666.db2.gz BJVSXIISEFQFRN-UHFFFAOYSA-N 0 0 276.293 3.181 50 0 CGAARN O=C(Nc1ccccc1Cl)c1n[nH]nc1-c1ccccc1 ZINC000194158495 392904497 /nfs/dbraw/zinc/90/44/97/392904497.db2.gz OVQCMVFAFSOAIS-UHFFFAOYSA-N 0 0 298.733 3.377 50 0 CGAARN Cc1cc(CNc2c(C)nn(-c3ccccc3)c2C)no1 ZINC000192650140 392857828 /nfs/dbraw/zinc/85/78/28/392857828.db2.gz GJBOCJBLCQTECO-UHFFFAOYSA-N 0 0 282.347 3.398 50 0 CGAARN COc1ccc(CC[S@](=O)[C@H](C)C(C)C)cc1 ZINC000195579607 392971156 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273.282 3.294 50 0 CGAARN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccnc1 ZINC000225452695 262372428 /nfs/dbraw/zinc/37/24/28/262372428.db2.gz IMBMSKIQWHKPBL-LUAWRHEFSA-N 0 0 256.280 3.263 50 0 CGAARN C[C@@H](N(C)C(=O)c1cnc2ccccc2n1)C(C)(C)C ZINC000030422497 270026788 /nfs/dbraw/zinc/02/67/88/270026788.db2.gz WMJLWAZQCLHESW-LLVKDONJSA-N 0 0 271.364 3.136 50 0 CGAARN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(=O)[nH]c(=S)[nH]c1OC2(C)C ZINC000009411573 287715930 /nfs/dbraw/zinc/71/59/30/287715930.db2.gz MVQNYAVCKZEBAM-IWSPIJDZSA-N 0 0 280.393 3.123 50 0 biogenic CGAARN C[C@@H]1CO[C@@H](c2ccccc2)CN1C[C@@H]1CCCCO1 ZINC000066853040 274380707 /nfs/dbraw/zinc/38/07/07/274380707.db2.gz XUXSMRDLORYVNB-HYVNUMGLSA-N 0 0 275.392 3.018 50 0 CGAARN O=C(Nc1ccncc1)c1ccc(-n2cccc2)cc1 ZINC000017585571 275000538 /nfs/dbraw/zinc/00/05/38/275000538.db2.gz NPNOBCIYPIHPDE-UHFFFAOYSA-N 0 0 263.300 3.125 50 0 CGAARN Brc1ccc(-c2ccnc3ccnn32)cc1 ZINC000032091927 275368439 /nfs/dbraw/zinc/36/84/39/275368439.db2.gz 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0 CGAARN CC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000211146849 275770432 /nfs/dbraw/zinc/77/04/32/275770432.db2.gz WWSAPBGZTDSFLL-CYBMUJFWSA-N 0 0 269.797 3.367 50 0 CGAARN CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000082046613 275825313 /nfs/dbraw/zinc/82/53/13/275825313.db2.gz NLCGGRDOWINSEJ-ZDUSSCGKSA-N 0 0 296.798 3.221 50 0 CGAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1(C)C ZINC000014240778 275868651 /nfs/dbraw/zinc/86/86/51/275868651.db2.gz MSWYHBDHRDYTBH-RISCZKNCSA-N 0 0 299.374 3.033 50 0 CGAARN CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000001104107 276145950 /nfs/dbraw/zinc/14/59/50/276145950.db2.gz OEUGARGQOKBJPK-YFHOEESVSA-N 0 0 267.737 3.396 50 0 CGAARN CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000005215139 276145996 /nfs/dbraw/zinc/14/59/96/276145996.db2.gz ABOWGRYFQZLIFK-LWGDNYCUSA-N 0 0 259.330 3.299 50 0 CGAARN CC1CCC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000040024799 276191347 /nfs/dbraw/zinc/19/13/47/276191347.db2.gz HERVWMOACVXSQK-UHFFFAOYSA-N 0 0 299.300 3.134 50 0 CGAARN CCCCn1c(C)nc2c1c1ccccc1oc2=O ZINC000013372115 276244440 /nfs/dbraw/zinc/24/44/40/276244440.db2.gz PFEXMDYIKGGSQC-UHFFFAOYSA-N 0 0 256.305 3.251 50 0 CGAARN CCNc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000002531044 276423875 /nfs/dbraw/zinc/42/38/75/276423875.db2.gz GZTMNDOZYLMFQE-UHFFFAOYSA-N 0 0 257.211 3.244 50 0 in-vitro CGAARN CC[C@H]1CN(C(=O)c2oc(C)nc2C)c2ccccc2O1 ZINC000074065268 276622318 /nfs/dbraw/zinc/62/23/18/276622318.db2.gz VCGDOKMWSLYFPQ-LBPRGKRZSA-N 0 0 286.331 3.109 50 0 CGAARN CCc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000001461173 276691440 /nfs/dbraw/zinc/69/14/40/276691440.db2.gz QZZVLLUJWMADPJ-CYBMUJFWSA-N 0 0 295.338 3.452 50 0 CGAARN Brc1cnc2cccnc2c1Br ZINC000000331052 276771524 /nfs/dbraw/zinc/77/15/24/276771524.db2.gz WTEFORNOSKDABW-UHFFFAOYSA-N 0 0 287.942 3.155 50 0 CGAARN CC(C)(C)C(=O)N[C@H]1CCN2CCCc3cccc1c32 ZINC000004229367 277130814 /nfs/dbraw/zinc/13/08/14/277130814.db2.gz MZLYKUOLGKZOQN-AWEZNQCLSA-N 0 0 272.392 3.046 50 0 CGAARN COC(=O)c1cc(Cl)c2ccc(Cl)c(F)c2n1 ZINC000038537405 277151728 /nfs/dbraw/zinc/15/17/28/277151728.db2.gz FGNDUPGXGVRKMJ-UHFFFAOYSA-N 0 0 274.078 3.467 50 0 CGAARN CN1CCc2c(c3cc(F)ccc3n2Cc2ccncc2)C1 ZINC000075567429 277186796 /nfs/dbraw/zinc/18/67/96/277186796.db2.gz GEPZLNUVXZUQRC-UHFFFAOYSA-N 0 0 295.361 3.212 50 0 CGAARN CNC(=O)Nc1ccc2c(c1)C(=O)Nc1ccc(C)cc1O2 ZINC000004105273 277238957 /nfs/dbraw/zinc/23/89/57/277238957.db2.gz AJOHKFWETGGLTP-UHFFFAOYSA-N 0 0 297.314 3.104 50 0 CGAARN CC(C)(C)[Si](C)(C)N1C(=O)c2ccccc2C1=O ZINC000170173233 277263522 /nfs/dbraw/zinc/26/35/22/277263522.db2.gz NJJNRHYJHTYODK-UHFFFAOYSA-N 0 0 261.397 3.288 50 0 CGAARN CC(C)CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000098014165 277343642 /nfs/dbraw/zinc/34/36/42/277343642.db2.gz XFXNYXADYVDKJA-UKRRQHHQSA-N 0 0 261.365 3.021 50 0 CGAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCCC1 ZINC000072446689 277434694 /nfs/dbraw/zinc/43/46/94/277434694.db2.gz LSMXDGSYOOJMDK-INIZCTEOSA-N 0 0 273.376 3.379 50 0 CGAARN COc1ccc2c(c1)OC[C@@H](Cc1ncncc1C(C)C)C2 ZINC000091950704 277442617 /nfs/dbraw/zinc/44/26/17/277442617.db2.gz JPZTZBAWMUJPMU-CYBMUJFWSA-N 0 0 298.386 3.402 50 0 CGAARN CONC(=O)c1oc2c(ccc3ccccc23)c1C ZINC000008938959 277619344 /nfs/dbraw/zinc/61/93/44/277619344.db2.gz PNEMLHNKGKUUCY-UHFFFAOYSA-N 0 0 255.273 3.186 50 0 CGAARN C[C@@H]1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000032444214 277756065 /nfs/dbraw/zinc/75/60/65/277756065.db2.gz MYNLVAVNXDPRDJ-CYBMUJFWSA-N 0 0 287.384 3.389 50 0 CGAARN COc1ccc(-n2nc3oc4ccccc4cc-3c2=O)cc1 ZINC000033261834 277866779 /nfs/dbraw/zinc/86/67/79/277866779.db2.gz CQJXLNONVFYBTJ-UHFFFAOYSA-N 0 0 292.294 3.092 50 0 CGAARN COc1ccccc1C(=O)Nc1noc2ccccc12 ZINC000009667573 278046648 /nfs/dbraw/zinc/04/66/48/278046648.db2.gz HNYBOAGPTNJWPA-UHFFFAOYSA-N 0 0 268.272 3.089 50 0 CGAARN COc1ccnc(-c2ccc(Cl)cc2Cl)n1 ZINC000065489208 278063952 /nfs/dbraw/zinc/06/39/52/278063952.db2.gz MELQXIPTIAETTG-UHFFFAOYSA-N 0 0 255.104 3.459 50 0 CGAARN C[C@@H]1c2cccn2CCN1C(=O)c1cn(C)c2ccccc12 ZINC000030264027 278110419 /nfs/dbraw/zinc/11/04/19/278110419.db2.gz HFGPPNLTJKBJDZ-CYBMUJFWSA-N 0 0 293.370 3.197 50 0 CGAARN CC(C)n1c2ccccc2nc1[C@H](C)NCc1ccon1 ZINC000097099572 278124999 /nfs/dbraw/zinc/12/49/99/278124999.db2.gz YFGKBLYPFLVYHV-LBPRGKRZSA-N 0 0 284.363 3.456 50 0 CGAARN CSCCC(=O)Nc1nc(-c2ccc(C)o2)cs1 ZINC000006588780 278128323 /nfs/dbraw/zinc/12/83/23/278128323.db2.gz SVOOTPLGWWVZIG-UHFFFAOYSA-N 0 0 282.390 3.403 50 0 CGAARN CC(=O)O[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O ZINC000001241950 278221086 /nfs/dbraw/zinc/22/10/86/278221086.db2.gz XDQDVCJNJFUBLE-KRWDZBQOSA-N 0 0 294.310 3.015 50 0 CGAARN CC1(C)Cc2ccccc2C(=CC(=O)N2CCCCCC2)N1 ZINC000000215186 278397367 /nfs/dbraw/zinc/39/73/67/278397367.db2.gz QNQQSQDYEDCAKM-LGMDPLHJSA-N 0 0 298.430 3.354 50 0 CGAARN Cc1cc(C)c2c(c1)[C@@H](NC(=O)C1CCC1)CCO2 ZINC000069414035 278667902 /nfs/dbraw/zinc/66/79/02/278667902.db2.gz YVAXBLKESYSPFO-AWEZNQCLSA-N 0 0 259.349 3.043 50 0 CGAARN CCCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000000510260 278989710 /nfs/dbraw/zinc/98/97/10/278989710.db2.gz OLCYTOBVAPLNJS-UHFFFAOYSA-N 0 0 264.328 3.338 50 0 CGAARN Cc1c[nH]nc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000134705860 279007335 /nfs/dbraw/zinc/00/73/35/279007335.db2.gz VIJZSSSCZKXLLB-UHFFFAOYSA-N 0 0 284.241 3.381 50 0 CGAARN Cc1nc(C)c(Cc2cccc3ccccc32)c(=O)[nH]1 ZINC000018067469 279076822 /nfs/dbraw/zinc/07/68/22/279076822.db2.gz SCVIVQSOBHIMST-UHFFFAOYSA-N 0 0 264.328 3.131 50 0 CGAARN Cc1nc(N2C[C@H](C)C[C@H](C)C2)nc2c1C(=O)C[C@H](C)C2 ZINC000103162140 279094857 /nfs/dbraw/zinc/09/48/57/279094857.db2.gz SBVDWOFDNDNJGU-UTUOFQBUSA-N 0 0 287.407 3.032 50 0 CGAARN Cc1nc2c3c(nc(C)n2n1)sc1c3[C@H](C)CCC1 ZINC000002241785 279120053 /nfs/dbraw/zinc/12/00/53/279120053.db2.gz HRXHNJMZBQMVLE-SSDOTTSWSA-N 0 0 272.377 3.396 50 0 CGAARN Cc1[nH]c2cc(-c3ccccc3)nn2c(=O)c1Cl ZINC000017945193 279120332 /nfs/dbraw/zinc/12/03/32/279120332.db2.gz BMOHOWMKVYKSEF-UHFFFAOYSA-N 0 0 259.696 3.064 50 0 CGAARN Cc1nc2ccc(-c3ccnn3C)cc2c2c1C[C@@H](C)O2 ZINC000426503602 279122562 /nfs/dbraw/zinc/12/25/62/279122562.db2.gz SZTOCFBCGGSOPB-SNVBAGLBSA-N 0 0 279.343 3.267 50 0 CGAARN Cc1nn(C)c2c1[C@@H](c1cccc(F)c1)SCC(=O)N2 ZINC000049544182 279203545 /nfs/dbraw/zinc/20/35/45/279203545.db2.gz UUCNFWSXHKSTMF-CYBMUJFWSA-N 0 0 291.351 3.292 50 0 CGAARN Cc1sc2ncn3cnnc3c2c1-c1ccccc1 ZINC000001465790 279287655 /nfs/dbraw/zinc/28/76/55/279287655.db2.gz CPDZMGRIDBERJZ-UHFFFAOYSA-N 0 0 266.329 3.314 50 0 CGAARN Clc1nc2cccnc2n2nc(-c3ccco3)cc12 ZINC000067172725 279298513 /nfs/dbraw/zinc/29/85/13/279298513.db2.gz CYQHYAXUMWVIGJ-UHFFFAOYSA-N 0 0 270.679 3.191 50 0 CGAARN FC(F)(F)c1nc2ccccn2c1-c1ccncc1 ZINC000426536473 279446664 /nfs/dbraw/zinc/44/66/64/279446664.db2.gz ONXPNGBIINCJHT-UHFFFAOYSA-N 0 0 263.222 3.415 50 0 CGAARN C[C@@H]1CN(CC(=O)NC2CCCC2)c2ccccc2S1 ZINC000033059189 288140997 /nfs/dbraw/zinc/14/09/97/288140997.db2.gz WYRJYEGNXPKQDR-GFCCVEGCSA-N 0 0 290.432 3.046 50 0 CGAARN NN=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1 ZINC000000188327 279660499 /nfs/dbraw/zinc/66/04/99/279660499.db2.gz XZEPOFNTLFSHFB-UHFFFAOYSA-N 0 0 270.723 3.236 50 0 CGAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)c1cccnc1 ZINC000096221800 279889194 /nfs/dbraw/zinc/88/91/94/279889194.db2.gz XSBUMDBJBFAOCW-MRXNPFEDSA-N 0 0 291.354 3.370 50 0 biogenic CGAARN O=C(c1ccc2c(c1)COC2)N1CCCc2cccc(F)c21 ZINC000069491085 280195633 /nfs/dbraw/zinc/19/56/33/280195633.db2.gz TYOYNBVJZAHWEK-UHFFFAOYSA-N 0 0 297.329 3.449 50 0 CGAARN CC(C)[C@H](CC(=O)N1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000000489472 280225241 /nfs/dbraw/zinc/22/52/41/280225241.db2.gz DDLPTOZJASYTKP-GJZGRUSLSA-N 0 0 281.440 3.476 50 0 biogenic CGAARN O=C(c1ncc(F)cc1F)N1CC[C@H](C2CCCCC2)C1 ZINC000221312095 280242296 /nfs/dbraw/zinc/24/22/96/280242296.db2.gz ADTHNQCJSJJHCB-LBPRGKRZSA-N 0 0 294.345 3.402 50 0 CGAARN O=C1CCCN1c1cc(Br)ccc1Cl ZINC000061693141 280253331 /nfs/dbraw/zinc/25/33/31/280253331.db2.gz KFDZNALEEFWYFZ-UHFFFAOYSA-N 0 0 274.545 3.229 50 0 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368295251 /nfs/dbraw/zinc/29/52/51/368295251.db2.gz YCPYSZXBSIVBQG-UHFFFAOYSA-N 0 0 258.302 3.474 50 0 CGAARN CCc1cccc(C)c1NC(=O)[C@H]1COc2ccccc2O1 ZINC000000130427 368297462 /nfs/dbraw/zinc/29/74/62/368297462.db2.gz PVNAGGKXCYFHLA-MRXNPFEDSA-N 0 0 297.354 3.336 50 0 CGAARN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(Cl)cc1 ZINC000000240576 368323377 /nfs/dbraw/zinc/32/33/77/368323377.db2.gz DASRZBBOSLMBCC-AWEZNQCLSA-N 0 0 281.783 3.258 50 0 CGAARN CCc1c(C)sc(NC(=O)c2cccs2)c1C(N)=O ZINC000000133325 368298872 /nfs/dbraw/zinc/29/88/72/368298872.db2.gz DCXJOKQPDHTDON-UHFFFAOYSA-N 0 0 294.401 3.032 50 0 CGAARN Cc1c2ccccc2oc1C(=O)NCc1ccco1 ZINC000000136467 368299259 /nfs/dbraw/zinc/29/92/59/368299259.db2.gz FQMYJQKFZUMLRQ-UHFFFAOYSA-N 0 0 255.273 3.264 50 0 CGAARN CN1CN=C(SCc2ccc(Cl)cc2Cl)NC1 ZINC000000144705 368301311 /nfs/dbraw/zinc/30/13/11/368301311.db2.gz FBJUAHWGLBFCPM-UHFFFAOYSA-N 0 0 290.219 3.033 50 0 CGAARN CCOC(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000000146058 368302006 /nfs/dbraw/zinc/30/20/06/368302006.db2.gz OEJKMZJZONDRLY-UHFFFAOYSA-N 0 0 299.326 3.124 50 0 CGAARN CC(C)=CC(=O)Nc1ccc(Br)cc1 ZINC000000145633 368302715 /nfs/dbraw/zinc/30/27/15/368302715.db2.gz BJPQRVCCAISNSI-UHFFFAOYSA-N 0 0 254.127 3.354 50 0 CGAARN COc1cc(C=O)ccc1OCc1ccccc1F ZINC000000151800 368303527 /nfs/dbraw/zinc/30/35/27/368303527.db2.gz ACPRAZFGKOPTHW-UHFFFAOYSA-N 0 0 260.264 3.226 50 0 CGAARN Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)no1 ZINC000000155341 368304872 /nfs/dbraw/zinc/30/48/72/368304872.db2.gz DQPBKOXZSWEHJY-UHFFFAOYSA-N 0 0 285.347 3.226 50 0 CGAARN Cc1ccc(SCc2nn(C)c(Cl)c2C=O)cc1 ZINC000000167936 368307158 /nfs/dbraw/zinc/30/71/58/368307158.db2.gz YIVAUKVUAKSWAC-UHFFFAOYSA-N 0 0 280.780 3.487 50 0 CGAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1 ZINC000000176460 368309448 /nfs/dbraw/zinc/30/94/48/368309448.db2.gz NYTOKLBYOCWFAC-ZROIWOOFSA-N 0 0 267.259 3.170 50 0 CGAARN CCOC(=O)c1oc2ccc(C=O)c(Cl)c2c1C ZINC000000188460 368311717 /nfs/dbraw/zinc/31/17/17/368311717.db2.gz 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CCc1ccc(OCC(=O)Nc2ncc(C)s2)cc1 ZINC000000312757 368339363 /nfs/dbraw/zinc/33/93/63/368339363.db2.gz WKCMEDOBBYHYBI-UHFFFAOYSA-N 0 0 276.361 3.031 50 0 CGAARN O=C(Nc1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000000333725 368341418 /nfs/dbraw/zinc/34/14/18/368341418.db2.gz NGGXEPIWSVENNO-UHFFFAOYSA-N 0 0 280.327 3.066 50 0 aggregator CGAARN CC(C)(C)NC(=O)COc1ccc2ccccc2c1 ZINC000000326713 368342248 /nfs/dbraw/zinc/34/22/48/368342248.db2.gz ADCGUXMLIUOFJE-UHFFFAOYSA-N 0 0 257.333 3.133 50 0 CGAARN CC(C)Oc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000000341336 368342766 /nfs/dbraw/zinc/34/27/66/368342766.db2.gz QDYBKXCOLYGJBZ-UHFFFAOYSA-N 0 0 256.305 3.121 50 0 CGAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000000460646 368372092 /nfs/dbraw/zinc/37/20/92/368372092.db2.gz KMAXICOFKNOYDI-UHFFFAOYSA-N 0 0 281.142 3.318 50 0 CGAARN O=C(Cc1ccc(Cl)cc1)NCCc1ccc(F)cc1 ZINC000000349992 368345444 /nfs/dbraw/zinc/34/54/44/368345444.db2.gz RKHFCUTWBWEGTJ-UHFFFAOYSA-N 0 0 291.753 3.381 50 0 biogenic CGAARN CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000000355632 368347103 /nfs/dbraw/zinc/34/71/03/368347103.db2.gz XCQXFDHRQMKWRN-LBPRGKRZSA-N 0 0 297.354 3.469 50 0 CGAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000362174 368348707 /nfs/dbraw/zinc/34/87/07/368348707.db2.gz PIWBQDODSKVKHZ-UHFFFAOYSA-N 0 0 285.299 3.066 50 0 CGAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000000362570 368348752 /nfs/dbraw/zinc/34/87/52/368348752.db2.gz LIMFKYHJHPLTHE-UHFFFAOYSA-N 0 0 281.764 3.449 50 0 CGAARN COc1ccccc1OC(=O)CCc1ccccc1 ZINC000000364019 368349264 /nfs/dbraw/zinc/34/92/64/368349264.db2.gz HDEDRPIBTIAWJP-UHFFFAOYSA-N 0 0 256.301 3.233 50 0 CGAARN O=C(Cc1c(F)cccc1Cl)NC1CCCC1 ZINC000000367307 368350782 /nfs/dbraw/zinc/35/07/82/368350782.db2.gz ZKSTVIUGBBHWSC-UHFFFAOYSA-N 0 0 255.720 3.080 50 0 CGAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)OCO2 ZINC000000373806 368352075 /nfs/dbraw/zinc/35/20/75/368352075.db2.gz RIPQLJCXJLMHRY-UHFFFAOYSA-N 0 0 275.348 3.258 50 0 CGAARN CCOc1cccc(NC(=O)COc2ccccc2)c1 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0 0 270.307 3.198 50 0 CGAARN c1ccc2c(c1)C=C(c1nc([C@H]3CCOC3)no1)C=CO2 ZINC000096180323 256886960 /nfs/dbraw/zinc/88/69/60/256886960.db2.gz ZNNYOICJZALUSP-ZDUSSCGKSA-N 0 0 282.299 3.020 50 0 CGAARN c1cc(-c2ccnc3nc(C4CCC4)nn32)cs1 ZINC000096344340 256889483 /nfs/dbraw/zinc/88/94/83/256889483.db2.gz OLYCEOYVRXIPHQ-UHFFFAOYSA-N 0 0 256.334 3.120 50 0 CGAARN COc1cccc(NC(=O)[C@@H](C)c2ccccc2)c1 ZINC000096315998 256889486 /nfs/dbraw/zinc/88/94/86/256889486.db2.gz UBVRLUYUVSIZKQ-LBPRGKRZSA-N 0 0 255.317 3.437 50 0 CGAARN CCc1ccc(CCC(=O)Nc2ccc(OC)cc2)o1 ZINC000000536920 169664203 /nfs/dbraw/zinc/66/42/03/169664203.db2.gz MOOSDUWLEGHFOT-UHFFFAOYSA-N 0 0 273.332 3.422 50 0 CGAARN COc1cc(NC(=S)N2CCC[C@@H](C)C2)cc(OC)c1 ZINC000000540251 169664974 /nfs/dbraw/zinc/66/49/74/169664974.db2.gz JWWRHBQVQGHEQE-LLVKDONJSA-N 0 0 294.420 3.133 50 0 CGAARN O=C(Oc1cc(=O)oc2ccccc12)c1cccc(F)c1 ZINC000000551341 169666916 /nfs/dbraw/zinc/66/69/16/169666916.db2.gz FPEWJUQBRJVEHZ-UHFFFAOYSA-N 0 0 284.242 3.151 50 0 CGAARN CC[C@H](O)Cn1nc(C(C)C)nc1-c1ccccc1Cl ZINC000095359239 184952583 /nfs/dbraw/zinc/95/25/83/184952583.db2.gz OBIXPBVCEDBHDV-NSHDSACASA-N 0 0 293.798 3.493 50 0 CGAARN Cc1nc2ccccc2n(CCCC(F)(F)F)c1=O ZINC000095374144 184957251 /nfs/dbraw/zinc/95/72/51/184957251.db2.gz IHLIIQDLBIXVIE-UHFFFAOYSA-N 0 0 270.254 3.047 50 0 CGAARN CCCc1nnc(N2CCC[C@H](C(=O)c3ccccc3)C2)o1 ZINC000095375131 184958241 /nfs/dbraw/zinc/95/82/41/184958241.db2.gz MNOJPCOIJUHOMJ-AWEZNQCLSA-N 0 0 299.374 3.121 50 0 CGAARN COc1ccccc1NC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1 ZINC000095406696 184968414 /nfs/dbraw/zinc/96/84/14/184968414.db2.gz NPBMAMKVQLRWEE-DYVFJYSZSA-N 0 0 299.370 3.107 50 0 CGAARN OCc1ccccc1OCc1nc(C(F)(F)F)cs1 ZINC000095435006 184983731 /nfs/dbraw/zinc/98/37/31/184983731.db2.gz FGFKDSWGJBIYOU-UHFFFAOYSA-N 0 0 289.278 3.233 50 0 CGAARN O=C(CCC(F)(F)F)Nc1ccc(-c2ccccn2)cn1 ZINC000095447576 184988162 /nfs/dbraw/zinc/98/81/62/184988162.db2.gz CTJGKNDTPCBOLC-UHFFFAOYSA-N 0 0 295.264 3.425 50 0 CGAARN C[C@@H](C[C@@H](O)c1ccco1)Nc1nccc2occc21 ZINC000095449446 184989002 /nfs/dbraw/zinc/98/90/02/184989002.db2.gz YQNSRHIJNFEWLI-CMPLNLGQSA-N 0 0 272.304 3.345 50 0 CGAARN CC[C@H](c1ccccc1)S(=O)(=O)CC1(O)CCCCC1 ZINC000095463531 184994240 /nfs/dbraw/zinc/99/42/40/184994240.db2.gz OJZYJWKTSKKDOB-OAHLLOKOSA-N 0 0 296.432 3.248 50 0 CGAARN Fc1cccc(F)c1-c1nc(-c2ccccn2)no1 ZINC000001400890 169702024 /nfs/dbraw/zinc/70/20/24/169702024.db2.gz AESPVULNVDOLRR-UHFFFAOYSA-N 0 0 259.215 3.077 50 0 CGAARN CC(C)(C)CS(=O)(=O)Cc1ccccc1Cl ZINC000281810113 195391292 /nfs/dbraw/zinc/39/12/92/195391292.db2.gz JAJHRGOKDNVJDM-UHFFFAOYSA-N 0 0 260.786 3.301 50 0 CGAARN COCCOC(=O)Nc1c(Cl)cccc1Cl ZINC000001590169 169720324 /nfs/dbraw/zinc/72/03/24/169720324.db2.gz YRJOZABHCBJRRY-UHFFFAOYSA-N 0 0 264.108 3.188 50 0 CGAARN Cc1nc2c(cccc2OCc2nnc3n2CCCCC3)o1 ZINC000283929046 195945205 /nfs/dbraw/zinc/94/52/05/195945205.db2.gz FCOFCNMTZMVFDC-UHFFFAOYSA-N 0 0 298.346 3.033 50 0 CGAARN S=c1[nH]nc2n1c1ccccc1n2-c1ccccc1 ZINC000005557376 285409690 /nfs/dbraw/zinc/40/96/90/285409690.db2.gz LMZGCEOINURCOO-UHFFFAOYSA-N 0 0 266.329 3.336 50 0 CGAARN Cc1cc([C@@H]2CCCCN2C(=O)c2ccsc2)no1 ZINC000219785928 291983801 /nfs/dbraw/zinc/98/38/01/291983801.db2.gz IHFFVGGFGQRKLT-ZDUSSCGKSA-N 0 0 276.361 3.412 50 0 CGAARN NC(=O)c1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 ZINC000016429734 391933978 /nfs/dbraw/zinc/93/39/78/391933978.db2.gz MTAVUJUOKKWMTB-UHFFFAOYSA-N 0 0 293.301 3.049 50 0 CGAARN CC1CCN(C(=O)c2ccccc2Br)CC1 ZINC000000029156 391905637 /nfs/dbraw/zinc/90/56/37/391905637.db2.gz ASNVHJVCNUOCGK-UHFFFAOYSA-N 0 0 282.181 3.321 50 0 CGAARN Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1 ZINC000000180607 391907785 /nfs/dbraw/zinc/90/77/85/391907785.db2.gz SOQQRPCGIHRQQC-UHFFFAOYSA-N 0 0 296.351 3.217 50 0 aggregator CGAARN COc1ccc(OC)c(NC(=O)Nc2cccc(O)c2)c1 ZINC000000398587 391909207 /nfs/dbraw/zinc/90/92/07/391909207.db2.gz VEMXLBQOSPAFMV-UHFFFAOYSA-N 0 0 288.303 3.053 50 0 CGAARN C[C@@H]1CCc2sc3ncnc(N4CCCC4)c3c2C1 ZINC000000306917 391909321 /nfs/dbraw/zinc/90/93/21/391909321.db2.gz PNGKVYRSEAVJAO-SNVBAGLBSA-N 0 0 273.405 3.416 50 0 CGAARN CCCC(=O)Nc1nc2c(s1)c(C)ccc2OC ZINC000002713966 391915173 /nfs/dbraw/zinc/91/51/73/391915173.db2.gz MGLGMPYSSRJNNR-UHFFFAOYSA-N 0 0 264.350 3.352 50 0 CGAARN Cc1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1C ZINC000004487546 391920756 /nfs/dbraw/zinc/92/07/56/391920756.db2.gz KRSTXEMTTBMRSR-UHFFFAOYSA-N 0 0 298.293 3.488 50 0 CGAARN C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000007404528 391927394 /nfs/dbraw/zinc/92/73/94/391927394.db2.gz DUFCJFNJASJENF-CYBMUJFWSA-N 0 0 287.384 3.217 50 0 CGAARN CC[C@H](C)NC(=O)c1noc2c1CCc1sccc1-2 ZINC000009642575 391928232 /nfs/dbraw/zinc/92/82/32/391928232.db2.gz OJJPBZPXFPVDEI-QMMMGPOBSA-N 0 0 276.361 3.030 50 0 CGAARN CC(C)c1ccc(C(=O)Nc2ncccc2O)cc1 ZINC000012523136 391929329 /nfs/dbraw/zinc/92/93/29/391929329.db2.gz NSVDNBGUYMBBOB-UHFFFAOYSA-N 0 0 256.305 3.163 50 0 CGAARN Cc1cc(NC(=O)N2CCC[C@H]2c2cccs2)no1 ZINC000024535570 391947622 /nfs/dbraw/zinc/94/76/22/391947622.db2.gz ZNSLKEJSXRRUMS-JTQLQIEISA-N 0 0 277.349 3.414 50 0 CGAARN O=C(N[C@@H]1CCc2ccccc21)c1cc(Cl)ccn1 ZINC000024576778 391947722 /nfs/dbraw/zinc/94/77/22/391947722.db2.gz QFZJZVVZTXKLLY-CYBMUJFWSA-N 0 0 272.735 3.152 50 0 CGAARN Fc1ccc(-c2nc3ccc(Br)cn3n2)cc1 ZINC000084201238 392223890 /nfs/dbraw/zinc/22/38/90/392223890.db2.gz MIBOVHXUHZRLSK-UHFFFAOYSA-N 0 0 292.111 3.298 50 0 CGAARN CCO[C@@H](CC)CNC(=O)Nc1ccc(C)cc1F ZINC000096150373 392245776 /nfs/dbraw/zinc/24/57/76/392245776.db2.gz XLXBPHHHYMHWCH-NSHDSACASA-N 0 0 268.332 3.071 50 0 CGAARN CO[C@H](CNC(=O)c1cc(C)cs1)c1cccc(F)c1 ZINC000096387952 392248835 /nfs/dbraw/zinc/24/88/35/392248835.db2.gz KMUSSQDLZHDKQQ-CYBMUJFWSA-N 0 0 293.363 3.313 50 0 CGAARN Cc1cc(C)n(-c2ccc(-c3noc(C4CCC4)n3)cn2)n1 ZINC000096405310 392249253 /nfs/dbraw/zinc/24/92/53/392249253.db2.gz BAMQWSURYGVZRR-UHFFFAOYSA-N 0 0 295.346 3.202 50 0 CGAARN Cc1ccccc1[C@@H](NC(=O)N(C)C1CC1)C1CC1 ZINC000096406274 392250092 /nfs/dbraw/zinc/25/00/92/392250092.db2.gz DOIQVEGDHKJTNO-HNNXBMFYSA-N 0 0 258.365 3.250 50 0 CGAARN CCCc1nc(SCc2ncc(C)c(OC)c2C)n[nH]1 ZINC000096411902 392251196 /nfs/dbraw/zinc/25/11/96/392251196.db2.gz PVTGSFGSNRTYJD-UHFFFAOYSA-N 0 0 292.408 3.070 50 0 CGAARN CC(=O)c1cnc(NC(=O)CCCc2ccccc2)s1 ZINC000096411620 392251262 /nfs/dbraw/zinc/25/12/62/392251262.db2.gz RDWLODRDJGGTFR-UHFFFAOYSA-N 0 0 288.372 3.307 50 0 CGAARN CC[C@@H](C)N(C)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000096418105 392252638 /nfs/dbraw/zinc/25/26/38/392252638.db2.gz BQEVHCCOSXCENX-DOMZBBRYSA-N 0 0 292.379 3.117 50 0 CGAARN C[C@@H](O)[C@H](C)SCc1coc(-c2ccccc2)n1 ZINC000096430314 392253281 /nfs/dbraw/zinc/25/32/81/392253281.db2.gz JOKHCIPXGFJYGE-MNOVXSKESA-N 0 0 263.362 3.344 50 0 CGAARN CCn1nc(C(C)C)cc1C(=O)N(C)c1cccc(C)n1 ZINC000096425192 392253425 /nfs/dbraw/zinc/25/34/25/392253425.db2.gz IBFMGBDYPCGTLR-UHFFFAOYSA-N 0 0 286.379 3.006 50 0 CGAARN CSc1ccc(NC(=O)NCc2ccccn2)cc1F ZINC000096435421 392255093 /nfs/dbraw/zinc/25/50/93/392255093.db2.gz YHFQSWOFFKMJHQ-UHFFFAOYSA-N 0 0 291.351 3.264 50 0 CGAARN CCc1nnc(CN2CC=C(c3ccccc3F)CC2)o1 ZINC000097161789 392261121 /nfs/dbraw/zinc/26/11/21/392261121.db2.gz WRVQXMVKUVUDGE-UHFFFAOYSA-N 0 0 287.338 3.060 50 0 CGAARN C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100562298 392266833 /nfs/dbraw/zinc/26/68/33/392266833.db2.gz PUKRDCGVHPWFQD-BBRMVZONSA-N 0 0 279.339 3.370 50 0 CGAARN Cc1ccsc1C[C@@H]1c2ccccc2N(C)C1=O ZINC000101728387 392271431 /nfs/dbraw/zinc/27/14/31/392271431.db2.gz QLERDALZDKMGGO-GFCCVEGCSA-N 0 0 257.358 3.359 50 0 CGAARN CCCNc1ccccc1NC(=O)c1ccn2ccnc2c1 ZINC000190155044 392810281 /nfs/dbraw/zinc/81/02/81/392810281.db2.gz NHJKPTISSYXPGQ-UHFFFAOYSA-N 0 0 294.358 3.409 50 0 CGAARN Cc1cc(NC(=O)Nc2c(C)cccc2OC(F)F)n[nH]1 ZINC000192252319 392844143 /nfs/dbraw/zinc/84/41/43/392844143.db2.gz ZKFAWLXNRSGBGG-UHFFFAOYSA-N 0 0 296.277 3.272 50 0 CGAARN O=C(Nc1cc[nH]n1)Nc1cccc(Oc2ccccn2)c1 ZINC000192274126 392845532 /nfs/dbraw/zinc/84/55/32/392845532.db2.gz KHAGXCMDJUTVJC-UHFFFAOYSA-N 0 0 295.302 3.241 50 0 CGAARN O=C(C[C@@H]1CCCOC1)N1CC=C(c2cccs2)CC1 ZINC000193296172 392874574 /nfs/dbraw/zinc/87/45/74/392874574.db2.gz UDKQSTNCNREGDF-ZDUSSCGKSA-N 0 0 291.416 3.181 50 0 CGAARN COc1ccc(CC[S@@](=O)[C@H](C)C(C)C)cc1 ZINC000195579606 392971979 /nfs/dbraw/zinc/97/19/79/392971979.db2.gz AZFQHDGUBDRMFX-SJKOYZFVSA-N 0 0 254.395 3.031 50 0 CGAARN COc1ccc2cc(NC(=O)[C@@H](C)n3cccc3)cnc2c1 ZINC000263587884 393152119 /nfs/dbraw/zinc/15/21/19/393152119.db2.gz MJLMAFVGVAPXNE-GFCCVEGCSA-N 0 0 295.342 3.245 50 0 CGAARN O=C([O-])[C@@H]1CC[N@H+](Cc2ccccc2F)[C@H]2CCCC[C@H]12 ZINC000585091671 542768657 /nfs/dbraw/zinc/76/86/57/542768657.db2.gz LPTGUMPHKJWOFR-FMKPAKJESA-N 0 0 291.366 3.291 50 0 CGAARN O=C1COc2ccc(Cl)cc2N1Cc1ccccc1F ZINC000009226130 134672534 /nfs/dbraw/zinc/67/25/34/134672534.db2.gz BPALBRIUJMHSON-UHFFFAOYSA-N 0 0 291.709 3.405 50 0 CGAARN Cc1cc2nnc(S[C@@H]3CCCC3(C)C)n2c(C)n1 ZINC000225638728 292026577 /nfs/dbraw/zinc/02/65/77/292026577.db2.gz UNOBTEDTODUXHZ-LLVKDONJSA-N 0 0 276.409 3.412 50 0 CGAARN Fc1ccc(C[C@@H]2CCCN(c3ccncn3)C2)cc1 ZINC000091694678 135073432 /nfs/dbraw/zinc/07/34/32/135073432.db2.gz RSYJWQJVKZSBLM-AWEZNQCLSA-N 0 0 271.339 3.075 50 0 CGAARN Cc1ccc(/C=C2/N=C3CCCCCN3C2=O)cc1 ZINC000003216654 292040137 /nfs/dbraw/zinc/04/01/37/292040137.db2.gz KHXMNLUXAHOKSR-SDNWHVSQSA-N 0 0 254.333 3.151 50 0 CGAARN O=c1c(Cl)c(Cl)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000004558064 296527175 /nfs/dbraw/zinc/52/71/75/296527175.db2.gz YQXPNXFPFBBPAM-UHFFFAOYSA-N 0 0 299.201 3.475 50 0 CGAARN Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)o1 ZINC000001051995 292074311 /nfs/dbraw/zinc/07/43/11/292074311.db2.gz AVSDBHAIRHRXQQ-CQSZACIVSA-N 0 0 255.317 3.395 50 0 CGAARN CC(C)c1nc(Cc2ccsc2)n(-c2cccnc2)n1 ZINC000670467183 543156573 /nfs/dbraw/zinc/15/65/73/543156573.db2.gz SBFURHROIDYYMJ-UHFFFAOYSA-N 0 0 284.388 3.438 50 0 CGAARN Cc1ccc2oc(C(=O)Nc3ccc(F)cc3)cc(=O)c2c1 ZINC000006811221 397603298 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Cc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000020313379 171145141 /nfs/dbraw/zinc/14/51/41/171145141.db2.gz VAJYTOYFKVFOAZ-JTQLQIEISA-N 0 0 268.788 3.364 50 0 CGAARN CCNc1c(C(=O)OCC)cnc2c(F)ccc(C)c21 ZINC000020445094 171206301 /nfs/dbraw/zinc/20/63/01/171206301.db2.gz RJJYHDBPFPWMOJ-UHFFFAOYSA-N 0 0 276.311 3.291 50 0 CGAARN O=C(NCc1ccco1)Nc1ccc(Cl)cc1F ZINC000020479689 171221885 /nfs/dbraw/zinc/22/18/85/171221885.db2.gz OXEJHWOSMPHGQP-UHFFFAOYSA-N 0 0 268.675 3.394 50 0 CGAARN CC[C@H](NC(=O)c1ccn(CC)n1)c1ccc(C)cc1 ZINC000020502500 171227733 /nfs/dbraw/zinc/22/77/33/171227733.db2.gz GULREKMZOVXTTI-AWEZNQCLSA-N 0 0 271.364 3.093 50 0 CGAARN Cc1ccc(CNC(=O)NCc2noc3ccccc23)cc1 ZINC000020516705 171232721 /nfs/dbraw/zinc/23/27/21/171232721.db2.gz APIXOJTXTGOGCI-UHFFFAOYSA-N 0 0 295.342 3.136 50 0 CGAARN Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccccc2C)n1 ZINC000020603122 171266923 /nfs/dbraw/zinc/26/69/23/171266923.db2.gz MRAFMFHCHDJMEU-AWEZNQCLSA-N 0 0 271.364 3.398 50 0 CGAARN Cc1ccn([C@H](C)CC(=O)NCCC2=CCCCC2)n1 ZINC000020991235 171283623 /nfs/dbraw/zinc/28/36/23/171283623.db2.gz HLQNNFJOEMYYIR-CQSZACIVSA-N 0 0 275.396 3.149 50 0 CGAARN Cc1cccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 ZINC000021093241 171297905 /nfs/dbraw/zinc/29/79/05/171297905.db2.gz ZIRBSNLUUILAFY-UHFFFAOYSA-N 0 0 298.367 3.161 50 0 CGAARN Cc1cccc(C(=O)OCc2nc3ccccc3o2)c1 ZINC000021187223 171299216 /nfs/dbraw/zinc/29/92/16/171299216.db2.gz IBBJRUCRWNFSEQ-UHFFFAOYSA-N 0 0 267.284 3.493 50 0 CGAARN O=C(Cc1ccccc1)Nc1cccc2cnccc21 ZINC000021217802 171300193 /nfs/dbraw/zinc/30/01/93/171300193.db2.gz CBWPTLXEQUEBCD-UHFFFAOYSA-N 0 0 262.312 3.416 50 0 CGAARN COC[C@H](C)NC(=O)CSc1c(C)c(C)cc(C)c1C ZINC000021285165 171300262 /nfs/dbraw/zinc/30/02/62/171300262.db2.gz YJDPMZGGTMSLSW-LBPRGKRZSA-N 0 0 295.448 3.163 50 0 CGAARN Cc1nc(CC(=O)Nc2cc(C)ccc2C)cs1 ZINC000021353959 171303278 /nfs/dbraw/zinc/30/32/78/171303278.db2.gz JHPSQDHEEPPHGM-UHFFFAOYSA-N 0 0 260.362 3.250 50 0 CGAARN COc1ccccc1CNc1ncccc1-c1nc(C)no1 ZINC000021524765 171316270 /nfs/dbraw/zinc/31/62/70/171316270.db2.gz MIFLPQHHLIVIQS-UHFFFAOYSA-N 0 0 296.330 3.061 50 0 CGAARN COc1ccc2[nH]c(COc3ccccc3OC)nc2c1 ZINC000021658780 171318486 /nfs/dbraw/zinc/31/84/86/171318486.db2.gz AMMVEIIWPIRWHA-UHFFFAOYSA-N 0 0 284.315 3.159 50 0 CGAARN Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2F)no1 ZINC000021718801 171319948 /nfs/dbraw/zinc/31/99/48/171319948.db2.gz IMQFWVRPIJOXAK-AWEZNQCLSA-N 0 0 274.295 3.099 50 0 CGAARN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccccc2Cl)n1 ZINC000021785257 171322520 /nfs/dbraw/zinc/32/25/20/171322520.db2.gz SQEZIVWAWOGRGJ-NSHDSACASA-N 0 0 277.755 3.353 50 0 CGAARN C[C@@H](CC(=O)Nc1ccc(Cl)cc1F)n1ccnc1 ZINC000021917429 171337144 /nfs/dbraw/zinc/33/71/44/171337144.db2.gz KKTUSLFVSAFRKZ-VIFPVBQESA-N 0 0 281.718 3.265 50 0 CGAARN Cc1noc2nc(C)cc(C(=O)NCCC3=CCCCC3)c12 ZINC000022236335 171380481 /nfs/dbraw/zinc/38/04/81/171380481.db2.gz UGXCUEZEBBUGRO-UHFFFAOYSA-N 0 0 299.374 3.460 50 0 CGAARN CCCc1cc(C(=O)OCC)c(NC(=O)C2CC2)s1 ZINC000022315924 171384705 /nfs/dbraw/zinc/38/47/05/171384705.db2.gz GBZSTXISHWJSHJ-UHFFFAOYSA-N 0 0 281.377 3.226 50 0 CGAARN Cc1ccccc1NC(=O)c1cc(Br)c[nH]1 ZINC000024045231 171430851 /nfs/dbraw/zinc/43/08/51/171430851.db2.gz LVBNAGPJZGMKCU-UHFFFAOYSA-N 0 0 279.137 3.338 50 0 CGAARN Cc1nc(NC(=O)CCOc2ccccc2)sc1C ZINC000024042413 171430915 /nfs/dbraw/zinc/43/09/15/171430915.db2.gz IWSNEBXUPWDWKK-UHFFFAOYSA-N 0 0 276.361 3.168 50 0 CGAARN Cc1ccc(O[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000024576495 171437523 /nfs/dbraw/zinc/43/75/23/171437523.db2.gz WGRLIFGHAFPLEW-OAHLLOKOSA-N 0 0 295.382 3.347 50 0 CGAARN Cc1nc(C2(NC(=O)c3ccc(C)cc3)CCCCC2)no1 ZINC000024838041 171441911 /nfs/dbraw/zinc/44/19/11/171441911.db2.gz PJSPCWRDZNGWNA-UHFFFAOYSA-N 0 0 299.374 3.276 50 0 CGAARN CCCNC(=O)c1cccc(OCc2csc(C)n2)c1 ZINC000025425874 171457485 /nfs/dbraw/zinc/45/74/85/171457485.db2.gz DIWDCQVWSRWQCL-UHFFFAOYSA-N 0 0 290.388 3.170 50 0 CGAARN CC(C)CNC(=O)c1ccccc1C(=O)c1cccs1 ZINC000025706556 171464447 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/nfs/dbraw/zinc/76/50/75/171765075.db2.gz ANYUMJRKNYJVSY-NSHDSACASA-N 0 0 297.185 3.020 50 0 CGAARN COC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000034936568 171896638 /nfs/dbraw/zinc/89/66/38/171896638.db2.gz RTUAGHYUPYVOOK-UHFFFAOYSA-N 0 0 295.132 3.154 50 0 CGAARN O=C(CSc1nncs1)c1ccc2c(c1)CCC2 ZINC000035184780 172038138 /nfs/dbraw/zinc/03/81/38/172038138.db2.gz VDZNPZDARIUPTM-UHFFFAOYSA-N 0 0 276.386 3.002 50 0 CGAARN Cc1ccc(COC2CN(C(=O)C3CCCCC3)C2)cc1 ZINC000035508949 172240990 /nfs/dbraw/zinc/24/09/90/172240990.db2.gz HYEOXNLLKZCFSM-UHFFFAOYSA-N 0 0 287.403 3.303 50 0 CGAARN CCc1noc2ncnc(Nc3ccc(C)cc3)c12 ZINC000035528802 172243471 /nfs/dbraw/zinc/24/34/71/172243471.db2.gz YMWDGTIZMWTOFF-UHFFFAOYSA-N 0 0 254.293 3.232 50 0 CGAARN COc1ccc2c(cc(C(=O)NCc3ccccc3)n2C)c1 ZINC000035558574 172263890 /nfs/dbraw/zinc/26/38/90/172263890.db2.gz UDLRNLQUYOYAEF-UHFFFAOYSA-N 0 0 294.354 3.117 50 0 CGAARN O=C(NCc1ccccc1)Nc1nc2c(s1)CCCC2 ZINC000035562426 172264194 /nfs/dbraw/zinc/26/41/94/172264194.db2.gz ILJDBUSWAPCBNH-UHFFFAOYSA-N 0 0 287.388 3.344 50 0 CGAARN Cc1cccc(C(=O)N2CCOC23CCCCC3)c1 ZINC000035671233 172343840 /nfs/dbraw/zinc/34/38/40/172343840.db2.gz CRVKJHNECMIIHZ-UHFFFAOYSA-N 0 0 259.349 3.128 50 0 CGAARN Cc1cc(NCCc2ccc(F)cc2)nc(Cl)n1 ZINC000036040058 172429553 /nfs/dbraw/zinc/42/95/53/172429553.db2.gz FZBBKSCSDKHVCR-UHFFFAOYSA-N 0 0 265.719 3.232 50 0 CGAARN COc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1F ZINC000036393879 172631631 /nfs/dbraw/zinc/63/16/31/172631631.db2.gz KOEAJTYRFWJRGW-CQSZACIVSA-N 0 0 288.322 3.140 50 0 CGAARN Cc1cccc(C(=O)N[C@H](C)Cc2cccc(Cl)c2)n1 ZINC000036397220 172633993 /nfs/dbraw/zinc/63/39/93/172633993.db2.gz XVTDXJYZBYLOSP-GFCCVEGCSA-N 0 0 288.778 3.404 50 0 CGAARN CCCCNc1nc(-c2cn(C)nc2C)cc(C(F)F)n1 ZINC000036618633 172641987 /nfs/dbraw/zinc/64/19/87/172641987.db2.gz SXWUDTXDCWGMTB-UHFFFAOYSA-N 0 0 295.337 3.335 50 0 CGAARN CCN(CC)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000036636376 172643724 /nfs/dbraw/zinc/64/37/24/172643724.db2.gz PMKICTJOVWGTAB-UHFFFAOYSA-N 0 0 282.192 3.024 50 0 CGAARN Nc1cc(-c2ccco2)nn1-c1ccc(Cl)cc1 ZINC000037291230 173096714 /nfs/dbraw/zinc/09/67/14/173096714.db2.gz WCCFYIUYTAJWFD-UHFFFAOYSA-N 0 0 259.696 3.368 50 0 CGAARN FC(F)(F)C(F)(F)c1cccc(Br)n1 ZINC000038816139 174156153 /nfs/dbraw/zinc/15/61/53/174156153.db2.gz JLUVBFWOHULMFU-UHFFFAOYSA-N 0 0 276.002 3.498 50 0 CGAARN O=C(c1ccccc1)c1cc(Cl)ccc1-n1cnnc1 ZINC000039190073 174164913 /nfs/dbraw/zinc/16/49/13/174164913.db2.gz LLVFXKRKLRMCRG-UHFFFAOYSA-N 0 0 283.718 3.152 50 0 CGAARN CCN(Cc1nnsc1Cl)Cc1cccc(F)c1 ZINC000039990670 174182103 /nfs/dbraw/zinc/18/21/03/174182103.db2.gz GDFZDYYLFFIHGU-UHFFFAOYSA-N 0 0 285.775 3.353 50 0 CGAARN CC(=O)Nc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000040023814 174183218 /nfs/dbraw/zinc/18/32/18/174183218.db2.gz GNSFUDXMDZEWJX-NHYWBVRUSA-N 0 0 289.379 3.345 50 0 CGAARN NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000040033467 174183960 /nfs/dbraw/zinc/18/39/60/174183960.db2.gz WHKFELJPVKUMCI-CYBMUJFWSA-N 0 0 279.698 3.085 50 0 CGAARN CNc1snc(C)c1C(=O)Nc1ccc2ccccc2n1 ZINC000040047646 174184326 /nfs/dbraw/zinc/18/43/26/174184326.db2.gz KXSADJWBGXKTQV-UHFFFAOYSA-N 0 0 298.371 3.294 50 0 CGAARN Cc1cc(Sc2nnc(-c3ccccc3)o2)nc(C)n1 ZINC000040051208 174184835 /nfs/dbraw/zinc/18/48/35/174184835.db2.gz WSJWHBWKKULCDS-UHFFFAOYSA-N 0 0 284.344 3.295 50 0 CGAARN c1coc(-c2nc(CSc3ccccn3)no2)c1 ZINC000040051172 174185002 /nfs/dbraw/zinc/18/50/02/174185002.db2.gz ZXOWRQVAHPZKMY-UHFFFAOYSA-N 0 0 259.290 3.017 50 0 CGAARN O=C(NCc1cccnc1OC1CCCC1)c1ccccc1 ZINC000040089460 174188604 /nfs/dbraw/zinc/18/86/04/174188604.db2.gz UMTHNJFLQGNEFD-UHFFFAOYSA-N 0 0 296.370 3.333 50 0 CGAARN Cc1nc(CSc2cc(C)nc(C)n2)cs1 ZINC000040090167 174189192 /nfs/dbraw/zinc/18/91/92/174189192.db2.gz YVUPGSKSWBVIGY-UHFFFAOYSA-N 0 0 251.380 3.151 50 0 CGAARN COCc1cccc(NC(=O)NCCCC(C)C)c1 ZINC000040104952 174191212 /nfs/dbraw/zinc/19/12/12/174191212.db2.gz TUXBOXJPIFYPLG-UHFFFAOYSA-N 0 0 264.369 3.391 50 0 CGAARN CCCN(CCC)C(=O)c1ccc2ccccc2n1 ZINC000040160785 174196243 /nfs/dbraw/zinc/19/62/43/174196243.db2.gz OFLIZYUKXSWTEW-UHFFFAOYSA-N 0 0 256.349 3.497 50 0 CGAARN Cc1cc(C)cc(Oc2nc(C)nc(Cl)c2N)c1 ZINC000040428513 174258862 /nfs/dbraw/zinc/25/88/62/174258862.db2.gz AXDHONXHRKCEJB-UHFFFAOYSA-N 0 0 263.728 3.430 50 0 CGAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(N)cc2)cc1 ZINC000040451228 174265789 /nfs/dbraw/zinc/26/57/89/174265789.db2.gz IQKYKZPHTUXGGU-GFCCVEGCSA-N 0 0 283.327 3.005 50 0 CGAARN Cn1cccc1[C@H]1CCCN1C(=O)c1ccccc1F ZINC000040462633 174271504 /nfs/dbraw/zinc/27/15/04/174271504.db2.gz AWYRMPXNPIUXPB-OAHLLOKOSA-N 0 0 272.323 3.142 50 0 CGAARN Fc1ccc(CN(Cc2nnsc2Cl)C2CC2)cc1 ZINC000040474003 174282258 /nfs/dbraw/zinc/28/22/58/174282258.db2.gz PXRKJKMJIFARQJ-UHFFFAOYSA-N 0 0 297.786 3.495 50 0 CGAARN O=C(C[C@H]1C=CCC1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000040487947 174290409 /nfs/dbraw/zinc/29/04/09/174290409.db2.gz MFIUIFASNJETDS-KXBFYZLASA-N 0 0 299.414 3.315 50 0 CGAARN Cc1cc(CSCCC(=O)Nc2ccccc2F)on1 ZINC000040497736 174295460 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CC(C)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 ZINC000004305086 368541710 /nfs/dbraw/zinc/54/17/10/368541710.db2.gz CWWKXLHANDQMPW-INIZCTEOSA-N 0 0 298.386 3.156 50 0 CGAARN CCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 ZINC000004386832 368544871 /nfs/dbraw/zinc/54/48/71/368544871.db2.gz LMDSUUCCWHLRAC-UHFFFAOYSA-N 0 0 297.358 3.012 50 0 CGAARN Cc1nc(C)c(CCNC(=O)c2ccc(C)cc2)s1 ZINC000004392431 368545628 /nfs/dbraw/zinc/54/56/28/368545628.db2.gz KIZWVVXUEDUWHE-UHFFFAOYSA-N 0 0 274.389 3.041 50 0 aggregator CGAARN CCOc1ccc(Cn2c3ccccc3oc2=O)cc1 ZINC000004487846 368547530 /nfs/dbraw/zinc/54/75/30/368547530.db2.gz IELSAMNEQDZXGT-UHFFFAOYSA-N 0 0 269.300 3.042 50 0 CGAARN COc1ccc(-c2nnc3sc(-c4ccco4)nn32)cc1 ZINC000004511695 368548436 /nfs/dbraw/zinc/54/84/36/368548436.db2.gz VHDULZHIUVRNFC-UHFFFAOYSA-N 0 0 298.327 3.121 50 0 CGAARN COc1ccccc1O[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000004502762 368548725 /nfs/dbraw/zinc/54/87/25/368548725.db2.gz YBLAZQJUAFJXGR-ZDUSSCGKSA-N 0 0 297.354 3.052 50 0 CGAARN COc1ccc(OC)c(NC(=O)Nc2ccccc2F)c1 ZINC000004539246 368549967 /nfs/dbraw/zinc/54/99/67/368549967.db2.gz PMTIODSIFDFATO-UHFFFAOYSA-N 0 0 290.294 3.487 50 0 CGAARN c1ccc([C@@H]2C3=C(CCCC3)N=C3N=NNN32)cc1 ZINC000004550928 368551043 /nfs/dbraw/zinc/55/10/43/368551043.db2.gz QAADUBHZGNZSOF-CYBMUJFWSA-N 0 0 253.309 3.113 50 0 CGAARN CCCNC(=O)N1C[C@H](CC)Oc2ccc(C)cc21 ZINC000006843578 368570889 /nfs/dbraw/zinc/57/08/89/368570889.db2.gz GQIFFSKVKYKXNC-LBPRGKRZSA-N 0 0 262.353 3.092 50 0 CGAARN CCOc1cc(C)c(S(=O)(=O)NC(C)C)cc1C(C)C ZINC000007616247 368571728 /nfs/dbraw/zinc/57/17/28/368571728.db2.gz UAOKFOVHTSVHRQ-UHFFFAOYSA-N 0 0 299.436 3.204 50 0 CGAARN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1cccnc1 ZINC000007885802 368572032 /nfs/dbraw/zinc/57/20/32/368572032.db2.gz BMZYJFBIRAEUQV-LRDDRELGSA-N 0 0 281.359 3.447 50 0 CGAARN Cc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000008739830 368575081 /nfs/dbraw/zinc/57/50/81/368575081.db2.gz YSKDRZWHDOZTOR-UHFFFAOYSA-N 0 0 268.729 3.144 50 0 CGAARN CCCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000009336053 368576218 /nfs/dbraw/zinc/57/62/18/368576218.db2.gz PIXMAIHEWBKRHI-UHFFFAOYSA-N 0 0 288.372 3.484 50 0 CGAARN C[C@@H]1CC[C@H]2[C@@H](C1)c1c(=O)[nH]c(=S)[nH]c1OC2(C)C ZINC000009411578 368577074 /nfs/dbraw/zinc/57/70/74/368577074.db2.gz MVQNYAVCKZEBAM-HLTSFMKQSA-N 0 0 280.393 3.123 50 0 biogenic CGAARN C[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccnc1 ZINC000010262219 368577854 /nfs/dbraw/zinc/57/78/54/368577854.db2.gz ZOTHMRNBKQGTOZ-SNVBAGLBSA-N 0 0 259.284 3.103 50 0 CGAARN Cc1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000010331528 368579458 /nfs/dbraw/zinc/57/94/58/368579458.db2.gz YBMFZABEJUPITN-UHFFFAOYSA-N 0 0 283.327 3.295 50 0 CGAARN C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(F)cc1 ZINC000010402592 368581324 /nfs/dbraw/zinc/58/13/24/368581324.db2.gz FKUWGICCQDTCFB-LLVKDONJSA-N 0 0 298.321 3.190 50 0 CGAARN CC[C@H](C)Oc1cccc(C(=O)NCc2ccco2)c1 ZINC000010473660 368582334 /nfs/dbraw/zinc/58/23/34/368582334.db2.gz OIOUBGWJVMJCKH-LBPRGKRZSA-N 0 0 273.332 3.387 50 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280303250 /nfs/dbraw/zinc/30/32/50/280303250.db2.gz NKMXUJUVJKYTDJ-UHFFFAOYSA-N 0 0 295.079 3.010 50 0 CGAARN O=C1Nc2ccccc2CC[C@@H]1Sc1ccncc1 ZINC000188067374 280303695 /nfs/dbraw/zinc/30/36/95/280303695.db2.gz CHIXNFFJULWRHL-AWEZNQCLSA-N 0 0 270.357 3.127 50 0 CGAARN Cc1cc(C(=O)Nc2ccc(F)cc2Cl)no1 ZINC000015009588 280368093 /nfs/dbraw/zinc/36/80/93/280368093.db2.gz SPFUSTONIPJHSN-UHFFFAOYSA-N 0 0 254.648 3.028 50 0 CGAARN Cc1cc(C(=O)Nc2cccc3ccccc32)on1 ZINC000008940708 280370508 /nfs/dbraw/zinc/37/05/08/280370508.db2.gz CCOFJOGOASNGHO-UHFFFAOYSA-N 0 0 252.273 3.389 50 0 CGAARN Cc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)no1 ZINC000007485923 280374429 /nfs/dbraw/zinc/37/44/29/280374429.db2.gz SPKHSJXONISBSQ-UHFFFAOYSA-N 0 0 293.735 3.498 50 0 CGAARN Cc1ccc(OCc2nnc3n2CCCCC3)cc1C ZINC000003241387 280924698 /nfs/dbraw/zinc/92/46/98/280924698.db2.gz BRLCCCBMUIOKEK-UHFFFAOYSA-N 0 0 271.364 3.200 50 0 CGAARN Cc1ccc2c(c1)[nH]c1c2ncnc1N1CCCCC1 ZINC000000534460 281129106 /nfs/dbraw/zinc/12/91/06/281129106.db2.gz LRWIIAAUTLLMEP-UHFFFAOYSA-N 0 0 266.348 3.410 50 0 CGAARN Cc1ccc2c(cccc2NC(=O)c2ccco2)n1 ZINC000006702285 281137104 /nfs/dbraw/zinc/13/71/04/281137104.db2.gz RILIHNGPHUKDOI-UHFFFAOYSA-N 0 0 252.273 3.389 50 0 CGAARN Cc1ccc2oc(C(=O)N3CCc4sccc4C3)cc2n1 ZINC000069485039 281178094 /nfs/dbraw/zinc/17/80/94/281178094.db2.gz FNKVXYSVPNYPKL-UHFFFAOYSA-N 0 0 298.367 3.396 50 0 CGAARN Cc1cccc(-c2nn3c(nnc3C(F)(F)F)s2)c1 ZINC000000384947 281186497 /nfs/dbraw/zinc/18/64/97/281186497.db2.gz LVLMYRQQASTJCA-UHFFFAOYSA-N 0 0 284.266 3.180 50 0 CGAARN Cc1cccc(C)c1NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000089719692 281210784 /nfs/dbraw/zinc/21/07/84/281210784.db2.gz JBMJWEQDRJTZHN-UHFFFAOYSA-N 0 0 292.342 3.136 50 0 CGAARN Cc1cccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c1 ZINC000001461168 281252516 /nfs/dbraw/zinc/25/25/16/281252516.db2.gz SAQNUAVTSQVGKG-LBPRGKRZSA-N 0 0 281.311 3.198 50 0 CGAARN CCc1[nH]ccc1C(=O)N1C[C@H](C)Oc2cc(C)ccc21 ZINC000286094127 281361545 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/nfs/dbraw/zinc/42/33/19/528423319.db2.gz WPUZYFJMAPJZTN-LLVKDONJSA-N 0 0 290.388 3.104 50 0 CGAARN CCCCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000001791869 528566509 /nfs/dbraw/zinc/56/65/09/528566509.db2.gz ZPYBNZWNFDKLDH-UHFFFAOYSA-N 0 0 298.342 3.291 50 0 CGAARN CC(C)n1cc(NC(=O)N(C)CCc2cccs2)cn1 ZINC000096447244 528571181 /nfs/dbraw/zinc/57/11/81/528571181.db2.gz HXJCGUJJFAXBLD-UHFFFAOYSA-N 0 0 292.408 3.232 50 0 CGAARN CC(C)n1cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cn1 ZINC000098016307 528571765 /nfs/dbraw/zinc/57/17/65/528571765.db2.gz CLWGUYRTZRJKNJ-JSGCOSHPSA-N 0 0 276.384 3.260 50 0 CGAARN CC(C)N1CC[C@@H](Sc2ccnc3ccccc32)C1=O ZINC000098016324 529072183 /nfs/dbraw/zinc/07/21/83/529072183.db2.gz MFBNNTWHASHMKN-OAHLLOKOSA-N 0 0 286.400 3.336 50 0 CGAARN CCS[C@H]1CCC[C@@H]1NC(=O)c1sccc1OC ZINC000096450717 529230084 /nfs/dbraw/zinc/23/00/84/529230084.db2.gz OTQBQJABTYOWBB-ONGXEEELSA-N 0 0 285.434 3.161 50 0 CGAARN COCc1ccc(C(=O)N(c2nc(C)cs2)C2CC2)o1 ZINC000084268388 566883391 /nfs/dbraw/zinc/88/33/91/566883391.db2.gz VGAHKOGXHMYRKF-UHFFFAOYSA-N 0 0 292.360 3.000 50 0 CGAARN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc[nH]3)[nH]n2)c1 ZINC000169765206 567001473 /nfs/dbraw/zinc/00/14/73/567001473.db2.gz MICNWYLMINKVJQ-UHFFFAOYSA-N 0 0 280.331 3.274 50 0 CGAARN C[Si](C)(C)c1sc([Si](C)(C)C)c(F)c1F ZINC000197900924 567945691 /nfs/dbraw/zinc/94/56/91/567945691.db2.gz BIIDYHMAKPKADL-UHFFFAOYSA-N 0 0 264.489 3.117 50 0 CGAARN CC(C)(CNC(=O)c1cccs1)C(F)(F)F ZINC000225756524 567955237 /nfs/dbraw/zinc/95/52/37/567955237.db2.gz BNUWVWJRFAVVAG-UHFFFAOYSA-N 0 0 251.273 3.066 50 0 CGAARN CC(=O)c1ccc(OC(=O)CC[C@H]2CCCOC2)c(C)c1 ZINC000084093535 570334832 /nfs/dbraw/zinc/33/48/32/570334832.db2.gz QBDGPBKGGTUGJX-CQSZACIVSA-N 0 0 290.359 3.310 50 0 CGAARN O=C(NCc1cnoc1-c1ccc(F)cc1)c1ccccc1 ZINC000169751142 570359771 /nfs/dbraw/zinc/35/97/71/570359771.db2.gz WSOATIPOKWRGQN-UHFFFAOYSA-N 0 0 296.301 3.411 50 0 CGAARN Cc1nccc(NCc2csc(C(C)(C)C)n2)n1 ZINC000742398968 572577466 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CCCc1cc(C(=O)N[C@H](C)Cn2ccnc2)sc1C ZINC000044934243 175280559 /nfs/dbraw/zinc/28/05/59/175280559.db2.gz VYWPIMFMUCOKDM-LLVKDONJSA-N 0 0 291.420 3.024 50 0 CGAARN Cc1cccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)n1 ZINC000045028524 175293717 /nfs/dbraw/zinc/29/37/17/175293717.db2.gz KCGOLEZNZHNHCD-UHFFFAOYSA-N 0 0 287.187 3.317 50 0 CGAARN Cc1ccc(C(=O)c2cccc(Br)c2)nc1 ZINC000045028540 175293771 /nfs/dbraw/zinc/29/37/71/175293771.db2.gz ZURVPFCFFBVMIG-UHFFFAOYSA-N 0 0 276.133 3.384 50 0 CGAARN Cc1ccncc1C(=O)c1ccccc1Br ZINC000045028999 175293927 /nfs/dbraw/zinc/29/39/27/175293927.db2.gz FOYZMMYGXCTDCQ-UHFFFAOYSA-N 0 0 276.133 3.384 50 0 CGAARN O=C1c2ccccc2C(=O)N1[C@H]1CCC=CCCC1 ZINC000045070041 175300527 /nfs/dbraw/zinc/30/05/27/175300527.db2.gz CEDFSNZDMDGHAN-LBPRGKRZSA-N 0 0 255.317 3.172 50 0 CGAARN CCOc1cccc(CNC(=O)N2CCCC[C@@H]2C)c1 ZINC000045883757 175385264 /nfs/dbraw/zinc/38/52/64/175385264.db2.gz GZSNYLWZDUXEJC-ZDUSSCGKSA-N 0 0 276.380 3.169 50 0 CGAARN O=C(CSCc1ccccc1)NCCc1ccsc1 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ZINC000026186248 368857101 /nfs/dbraw/zinc/85/71/01/368857101.db2.gz VNZRMCRESQUVBP-OLZOCXBDSA-N 0 0 269.348 3.203 50 0 CGAARN Clc1cccc(-c2nnc(-c3cccnc3)[nH]2)c1 ZINC000026507371 368861512 /nfs/dbraw/zinc/86/15/12/368861512.db2.gz DNKDWZMLRDICNK-UHFFFAOYSA-N 0 0 256.696 3.187 50 0 CGAARN COc1cc([C@H](C)NC(=O)C2CC2)ccc1OC(C)C ZINC000026953577 368866573 /nfs/dbraw/zinc/86/65/73/368866573.db2.gz CKFOUHWTKLGJEC-NSHDSACASA-N 0 0 277.364 3.070 50 0 CGAARN Cc1cc(CSCC(=O)Nc2cccc(C)c2C)no1 ZINC000027190331 368869324 /nfs/dbraw/zinc/86/93/24/368869324.db2.gz JBHHSNFIFMZSJL-UHFFFAOYSA-N 0 0 290.388 3.472 50 0 CGAARN COc1ccccc1[C@@H](C)N(C)C(=O)NC1CCCC1 ZINC000027358102 368870511 /nfs/dbraw/zinc/87/05/11/368870511.db2.gz GLLCJKKSVWSYEN-GFCCVEGCSA-N 0 0 276.380 3.340 50 0 CGAARN Cc1cc2ccccc2n1CC(=O)N[C@@H](C)c1ccncc1 ZINC000027406640 368871529 /nfs/dbraw/zinc/87/15/29/368871529.db2.gz ZJBJJBFHTVHPET-AWEZNQCLSA-N 0 0 293.370 3.222 50 0 CGAARN Cc1ccc(CN(CC(=O)NC2CCCC2)C2CC2)cc1 ZINC000027593291 368872471 /nfs/dbraw/zinc/87/24/71/368872471.db2.gz GTZVOHJRWFRYCL-UHFFFAOYSA-N 0 0 286.419 3.018 50 0 CGAARN COc1cccc(S[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000027662293 368873987 /nfs/dbraw/zinc/87/39/87/368873987.db2.gz WMWBSDWJUWBFGR-JTQLQIEISA-N 0 0 267.394 3.091 50 0 CGAARN C/C=C/C=C/C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000027978273 368879385 /nfs/dbraw/zinc/87/93/85/368879385.db2.gz DLIQTWNGZGDPHK-CRBCFSCISA-N 0 0 270.332 3.106 50 0 CGAARN CN(Cc1nc(C2CC2)no1)[C@@H]1CCc2ccccc21 ZINC000029441256 368894717 /nfs/dbraw/zinc/89/47/17/368894717.db2.gz CLJJXPYYOIGKMD-CQSZACIVSA-N 0 0 269.348 3.066 50 0 CGAARN Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000029609406 368898740 /nfs/dbraw/zinc/89/87/40/368898740.db2.gz OAWMAINLIPEAEJ-ZJUUUORDSA-N 0 0 290.285 3.142 50 0 CGAARN c1nnc(-c2cccc(OCc3nc4ccccc4o3)c2)o1 ZINC000029752083 368898844 /nfs/dbraw/zinc/89/88/44/368898844.db2.gz BKXAIPPUMSZGTF-UHFFFAOYSA-N 0 0 293.282 3.457 50 0 CGAARN CCOCc1ccc(CNC(=O)c2cc(C)oc2C)cc1 ZINC000030123931 368901065 /nfs/dbraw/zinc/90/10/65/368901065.db2.gz TUSYXVJHOVWKIJ-UHFFFAOYSA-N 0 0 287.359 3.363 50 0 CGAARN CN(C)c1ccccc1NC(=O)C1=Cc2ccccc2OC1 ZINC000030573407 368903147 /nfs/dbraw/zinc/90/31/47/368903147.db2.gz UBWHTEULDYXMEG-UHFFFAOYSA-N 0 0 294.354 3.167 50 0 CGAARN CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)CC(C)C)c1C ZINC000030427470 368903470 /nfs/dbraw/zinc/90/34/70/368903470.db2.gz LUVWXXGTOAFKOT-JTQLQIEISA-N 0 0 278.396 3.341 50 0 CGAARN CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1 ZINC000030542588 368903595 /nfs/dbraw/zinc/90/35/95/368903595.db2.gz XLRMAQLUAUKOIU-INIZCTEOSA-N 0 0 282.343 3.282 50 0 CGAARN CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1 ZINC000030542759 368903815 /nfs/dbraw/zinc/90/38/15/368903815.db2.gz MFZBOSUYFCDRRQ-INIZCTEOSA-N 0 0 282.343 3.282 50 0 CGAARN CC[C@@H](C)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000030819289 368907228 /nfs/dbraw/zinc/90/72/28/368907228.db2.gz YUJDWGRRPQHLQR-GFCCVEGCSA-N 0 0 285.391 3.315 50 0 CGAARN C[C@@H](NC(=O)NC1CCCC1)c1ccc(F)cc1F ZINC000030983002 368908912 /nfs/dbraw/zinc/90/89/12/368908912.db2.gz QRWPSOYYLHKVJF-SECBINFHSA-N 0 0 268.307 3.268 50 0 CGAARN COc1cc(C)c(NC(=O)NC2CCCC2)cc1OC ZINC000030984442 368909159 /nfs/dbraw/zinc/90/91/59/368909159.db2.gz VBQYCNTZVZSDSV-UHFFFAOYSA-N 0 0 278.352 3.076 50 0 CGAARN CN(Cc1ccsc1)C(=O)NCc1ccc(F)cc1 ZINC000030991396 368910078 /nfs/dbraw/zinc/91/00/78/368910078.db2.gz GUDMJYGVUGNYFY-UHFFFAOYSA-N 0 0 278.352 3.229 50 0 CGAARN O=C(NCc1ccc(F)cc1)N1CCc2sccc2C1 ZINC000031030300 368910606 /nfs/dbraw/zinc/91/06/06/368910606.db2.gz JLVWHTJHZLNCHQ-UHFFFAOYSA-N 0 0 290.363 3.155 50 0 CGAARN C[C@H](NC(=O)NC1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000031027034 368910689 /nfs/dbraw/zinc/91/06/89/368910689.db2.gz DYXCGAZTWUXKAW-ZDUSSCGKSA-N 0 0 298.390 3.175 50 0 CGAARN CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1Cl ZINC000031674356 368916494 /nfs/dbraw/zinc/91/64/94/368916494.db2.gz AZUNOSFXSZJOSS-UHFFFAOYSA-N 0 0 293.729 3.192 50 0 CGAARN CC(C)c1nc(Cn2cnc3ccccc3c2=O)cs1 ZINC000031647568 368916560 /nfs/dbraw/zinc/91/65/60/368916560.db2.gz VTEYEVPHBVGHFX-UHFFFAOYSA-N 0 0 285.372 3.025 50 0 CGAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)c1ccccc1 ZINC000034887432 368979177 /nfs/dbraw/zinc/97/91/77/368979177.db2.gz ZRDQBSAADJWAKU-FVQBIDKESA-N 0 0 295.448 3.426 50 0 CGAARN c1nnc(-c2ccc(OCc3nc4ccccc4o3)cc2)o1 ZINC000031705330 368917067 /nfs/dbraw/zinc/91/70/67/368917067.db2.gz WATCMEFJPFYDID-UHFFFAOYSA-N 0 0 293.282 3.457 50 0 CGAARN O=C(Cn1ccc2ccc(Cl)cc21)NCc1cccnc1 ZINC000031819540 368917895 /nfs/dbraw/zinc/91/78/95/368917895.db2.gz HMOOTTJRXKLPHH-UHFFFAOYSA-N 0 0 299.761 3.006 50 0 CGAARN O=C1CCCC[C@H]1Sc1nnc(C2CCCC2)[nH]1 ZINC000031796147 368918620 /nfs/dbraw/zinc/91/86/20/368918620.db2.gz KYXIKMFVMUQKQB-LLVKDONJSA-N 0 0 265.382 3.066 50 0 CGAARN COc1ccc2c(c1)ncnc2NCCc1ccccc1 ZINC000032544416 368935442 /nfs/dbraw/zinc/93/54/42/368935442.db2.gz SZRPTECUUXMJPF-UHFFFAOYSA-N 0 0 279.343 3.293 50 0 CGAARN CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000032601739 368937522 /nfs/dbraw/zinc/93/75/22/368937522.db2.gz SAXZYZKGZNHZOM-UHFFFAOYSA-N 0 0 282.192 3.070 50 0 CGAARN Cc1cc(C(=O)Nc2ccncc2)c2ccc(F)cc2n1 ZINC000032726723 368941520 /nfs/dbraw/zinc/94/15/20/368941520.db2.gz MZIJTTFRMBQVBC-UHFFFAOYSA-N 0 0 281.290 3.330 50 0 CGAARN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1F ZINC000032736109 368942651 /nfs/dbraw/zinc/94/26/51/368942651.db2.gz OHTDOZKQKFPSRJ-UHFFFAOYSA-N 0 0 273.307 3.107 50 0 CGAARN COc1ccc(C)cc1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000032740634 368942829 /nfs/dbraw/zinc/94/28/29/368942829.db2.gz DLOMLZASMZUVRU-HIFRSBDPSA-N 0 0 275.392 3.241 50 0 CGAARN Cc1nnc(CN(C)[C@H](C)c2ccc(Cl)cc2)o1 ZINC000032777548 368944283 /nfs/dbraw/zinc/94/42/83/368944283.db2.gz MAWLXHMHNPWSHS-SECBINFHSA-N 0 0 265.744 3.224 50 0 CGAARN CC(C)CNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000032794804 368945229 /nfs/dbraw/zinc/94/52/29/368945229.db2.gz SFZDCYMPECKEKN-SNVBAGLBSA-N 0 0 299.212 3.465 50 0 CGAARN C[C@@H](CCc1ccco1)NC(=O)NCCc1ccccc1 ZINC000032779687 368945407 /nfs/dbraw/zinc/94/54/07/368945407.db2.gz XAOZKNZBEPWCGE-AWEZNQCLSA-N 0 0 286.375 3.143 50 0 CGAARN COc1ccc(CNC(=O)NC2CCCCCCC2)cn1 ZINC000032795101 368945782 /nfs/dbraw/zinc/94/57/82/368945782.db2.gz HNKFLGOSJOLPKD-UHFFFAOYSA-N 0 0 291.395 3.002 50 0 CGAARN Cc1cc(CN(C)C(=O)Nc2cccc(Cl)c2)no1 ZINC000032826249 368946880 /nfs/dbraw/zinc/94/68/80/368946880.db2.gz MWNAEGGOBCQWAH-UHFFFAOYSA-N 0 0 279.727 3.300 50 0 CGAARN COc1ccccc1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000032814557 368947209 /nfs/dbraw/zinc/94/72/09/368947209.db2.gz JTPDFWNILSBQAX-ZDUSSCGKSA-N 0 0 298.342 3.341 50 0 CGAARN CCc1cccc(OCC(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000032850803 368947583 /nfs/dbraw/zinc/94/75/83/368947583.db2.gz FUOSKWQBMOFATQ-GOSISDBHSA-N 0 0 295.382 3.432 50 0 CGAARN COc1ccc(C)cc1NC(=O)c1cc(C2CC2)on1 ZINC000032870441 368948936 /nfs/dbraw/zinc/94/89/36/368948936.db2.gz RXDCJKXKJCVFSJ-UHFFFAOYSA-N 0 0 272.304 3.121 50 0 CGAARN CC(C)[C@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000032869100 368949208 /nfs/dbraw/zinc/94/92/08/368949208.db2.gz PGWLLVQIMLSCKW-ZDUSSCGKSA-N 0 0 297.402 3.135 50 0 CGAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccnc1 ZINC000032903977 368951119 /nfs/dbraw/zinc/95/11/19/368951119.db2.gz RDZYPIKUSCGAIG-INIZCTEOSA-N 0 0 283.375 3.178 50 0 CGAARN CC[C@H](C)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032903905 368951340 /nfs/dbraw/zinc/95/13/40/368951340.db2.gz RDGSFGGUIJORJD-GXTWGEPZSA-N 0 0 289.375 3.167 50 0 CGAARN Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)c1ccncc1 ZINC000032924133 368952659 /nfs/dbraw/zinc/95/26/59/368952659.db2.gz BHEKWVKJPQFXOG-JTQLQIEISA-N 0 0 289.404 3.461 50 0 CGAARN CC[C@H](O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000032911346 368952695 /nfs/dbraw/zinc/95/26/95/368952695.db2.gz AWXKHWPBFVMHKO-ZETCQYMHSA-N 0 0 270.543 3.011 50 0 CGAARN Cc1ccc(NC(=O)CCOC[C@H]2CCCO2)cc1Cl ZINC000032930936 368953777 /nfs/dbraw/zinc/95/37/77/368953777.db2.gz DKSJMRDEMAMWOP-CYBMUJFWSA-N 0 0 297.782 3.173 50 0 CGAARN CC(C)CC[C@@H](C)NC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000032930902 368953897 /nfs/dbraw/zinc/95/38/97/368953897.db2.gz SRKPKXNFNBFDFB-OAHLLOKOSA-N 0 0 299.418 3.356 50 0 CGAARN COc1ccc(OC)c(NC(=O)/C=C\c2ccccc2)c1 ZINC000033330445 368962028 /nfs/dbraw/zinc/96/20/28/368962028.db2.gz SHCGJEMNCXKPBZ-FLIBITNWSA-N 0 0 283.327 3.356 50 0 CGAARN COc1ccccc1/C=C\C(=O)NCc1ccc(F)cc1 ZINC000033467004 368965204 /nfs/dbraw/zinc/96/52/04/368965204.db2.gz XUTJUIISKCNXLI-FLIBITNWSA-N 0 0 285.318 3.164 50 0 CGAARN Cc1ccc(NCC(=O)N2CCc3sccc3C2)cc1 ZINC000035099728 368996621 /nfs/dbraw/zinc/99/66/21/368996621.db2.gz QZPHBACMOWIFAS-UHFFFAOYSA-N 0 0 286.400 3.053 50 0 CGAARN CC(=O)c1cccc(NC(=O)c2cc3occc3n2C)c1 ZINC000036354343 369018686 /nfs/dbraw/zinc/01/86/86/369018686.db2.gz CCWNROLLGANMPS-UHFFFAOYSA-N 0 0 282.299 3.226 50 0 CGAARN C/C=C/C=C/C(=O)Nc1cc(NC(=O)CC)ccc1C ZINC000036392545 369019261 /nfs/dbraw/zinc/01/92/61/369019261.db2.gz KEVDIFZOMOHDHS-GFGVWQOPSA-N 0 0 272.348 3.414 50 0 CGAARN C[C@H](NC(=O)c1cccnc1)c1ccc(Cl)s1 ZINC000036397432 369021306 /nfs/dbraw/zinc/02/13/06/369021306.db2.gz QQQLGIPJNDNKPR-QMMMGPOBSA-N 0 0 266.753 3.288 50 0 CGAARN CC(C)NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000036620927 369023382 /nfs/dbraw/zinc/02/33/82/369023382.db2.gz LHPLFOAGMLVHTJ-ZDUSSCGKSA-N 0 0 250.317 3.081 50 0 CGAARN Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC(C)C)n1 ZINC000036613264 369023850 /nfs/dbraw/zinc/02/38/50/369023850.db2.gz LLLCCMFRNBWAEJ-UHFFFAOYSA-N 0 0 299.300 3.025 50 0 CGAARN O=C(c1ccccc1F)N(Cc1ccccn1)C1CC1 ZINC000037977555 369129904 /nfs/dbraw/zinc/12/99/04/369129904.db2.gz MMZQIOHBTAIHEO-UHFFFAOYSA-N 0 0 270.307 3.026 50 0 CGAARN COc1cccc(CNc2cccc3n[nH]cc32)c1 ZINC000037783877 369111651 /nfs/dbraw/zinc/11/16/51/369111651.db2.gz YZPRZCIMIOCWJH-UHFFFAOYSA-N 0 0 253.305 3.184 50 0 CGAARN CCOC(=O)c1ccc([C@@H]2CCCC(=O)C2)s1 ZINC000039326042 369149694 /nfs/dbraw/zinc/14/96/94/369149694.db2.gz AZKYIXHVSIWLAY-SECBINFHSA-N 0 0 252.335 3.152 50 0 CGAARN O=C(c1ccnc(F)c1)N1CCC[C@H]1c1ccsc1 ZINC000041040035 369170379 /nfs/dbraw/zinc/17/03/79/369170379.db2.gz SWORFIZOPSOBFI-LBPRGKRZSA-N 0 0 276.336 3.260 50 0 CGAARN CCCc1noc([C@@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000041122794 369176233 /nfs/dbraw/zinc/17/62/33/369176233.db2.gz HEFNGPOVSIHAML-ZDUSSCGKSA-N 0 0 291.395 3.266 50 0 CGAARN COC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000041327539 369181574 /nfs/dbraw/zinc/18/15/74/369181574.db2.gz PUJGRHDQMSUGGT-MRVPVSSYSA-N 0 0 257.127 3.116 50 0 CGAARN O=C(NCC[C@H](O)c1cccc(Cl)c1)[C@@H]1CC=CCC1 ZINC000225610094 189759619 /nfs/dbraw/zinc/75/96/19/189759619.db2.gz HQXNTHPZZOXCJV-DOMZBBRYSA-N 0 0 293.794 3.236 50 0 CGAARN O=C(C1CCC1)N1CCc2cc(-c3ccncc3)ccc21 ZINC000225637852 189760580 /nfs/dbraw/zinc/76/05/80/189760580.db2.gz MEOYQQDPKQYCSQ-UHFFFAOYSA-N 0 0 278.355 3.438 50 0 CGAARN CCN(Cc1nnc(C)o1)Cc1ccccc1Cl ZINC000042157234 369201015 /nfs/dbraw/zinc/20/10/15/369201015.db2.gz OWJROBPYSAVIIB-UHFFFAOYSA-N 0 0 265.744 3.054 50 0 CGAARN CC(C)(C)c1cnc(CN2CCN(c3ccccc3)CC2)o1 ZINC000041646421 369194943 /nfs/dbraw/zinc/19/49/43/369194943.db2.gz SWGGWZSXCVYWOM-UHFFFAOYSA-N 0 0 299.418 3.294 50 0 CGAARN c1ccc2c(c1)OCC[C@@H]2NCc1cccc2c1OCCO2 ZINC000042796710 369233809 /nfs/dbraw/zinc/23/38/09/369233809.db2.gz ZCBDSCPCNZRAHL-HNNXBMFYSA-N 0 0 297.354 3.071 50 0 CGAARN C[C@@H](Nc1ncnc2nc[nH]c21)c1ccc(Cl)cc1 ZINC000042374321 369218614 /nfs/dbraw/zinc/21/86/14/369218614.db2.gz NHEFIJKXVNOBTK-MRVPVSSYSA-N 0 0 273.727 3.179 50 0 CGAARN COc1cccc(C(=O)c2ccc(C3OCCO3)s2)c1 ZINC000043210391 369245659 /nfs/dbraw/zinc/24/56/59/369245659.db2.gz AJPSMODGWNQMMN-UHFFFAOYSA-N 0 0 290.340 3.033 50 0 CGAARN COCCCOc1cc2oc(=O)cc(C)c2cc1Cl ZINC000048308784 369339872 /nfs/dbraw/zinc/33/98/72/369339872.db2.gz CUJQVONKZYUUMR-UHFFFAOYSA-N 0 0 282.723 3.170 50 0 CGAARN CSc1cccc(NC(=O)NCc2ccoc2)c1 ZINC000047697848 369325519 /nfs/dbraw/zinc/32/55/19/369325519.db2.gz MMJPAHAXMMYVKG-UHFFFAOYSA-N 0 0 262.334 3.323 50 0 CGAARN O=C(NC1CCCC1)c1sccc1Br ZINC000047721217 369325976 /nfs/dbraw/zinc/32/59/76/369325976.db2.gz ILRXTHOOOWCOBI-UHFFFAOYSA-N 0 0 274.183 3.183 50 0 CGAARN COC(=O)CC1=C[C@H]2[C@H](C=C1)Sc1ccccc1N2C ZINC000048024939 369333968 /nfs/dbraw/zinc/33/39/68/369333968.db2.gz HIMXLAPIWGFVSW-ZFWWWQNUSA-N 0 0 287.384 3.025 50 0 CGAARN COC(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H](C)C2)cc1 ZINC000048007776 369334012 /nfs/dbraw/zinc/33/40/12/369334012.db2.gz ZUUKGNRLUSSIKS-FZMZJTMJSA-N 0 0 290.363 3.173 50 0 CGAARN CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1ccco1 ZINC000047279876 369310876 /nfs/dbraw/zinc/31/08/76/369310876.db2.gz DSUFCTSJAQTMMC-GFCCVEGCSA-N 0 0 287.363 3.039 50 0 CGAARN O=C(NCc1cccs1)[C@@H](c1ccccc1)n1cccc1 ZINC000049030932 369382545 /nfs/dbraw/zinc/38/25/45/369382545.db2.gz SEBSSMLLMGPZDM-MRXNPFEDSA-N 0 0 296.395 3.455 50 0 CGAARN CCCCCNC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000048314206 369340115 /nfs/dbraw/zinc/34/01/15/369340115.db2.gz KSLDZFSQDXODHS-UHFFFAOYSA-N 0 0 298.770 3.423 50 0 CGAARN Cc1cc(Br)cc(C)c1NC(=O)NC1CC1 ZINC000048466725 369353694 /nfs/dbraw/zinc/35/36/94/369353694.db2.gz RYBBLYHKEUXCOG-UHFFFAOYSA-N 0 0 283.169 3.350 50 0 CGAARN C[C@@H]1CCCN(C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000048554724 369357855 /nfs/dbraw/zinc/35/78/55/369357855.db2.gz WYYJCDVASFOBIP-CYBMUJFWSA-N 0 0 284.363 3.136 50 0 CGAARN Cc1ccc(CNC(=O)c2sccc2C)s1 ZINC000048783566 369369486 /nfs/dbraw/zinc/36/94/86/369369486.db2.gz JLYCSLLTZQTMGB-UHFFFAOYSA-N 0 0 251.376 3.356 50 0 CGAARN CC(C)(C)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000048939283 369374555 /nfs/dbraw/zinc/37/45/55/369374555.db2.gz ZVUAKHUHCLBAJS-UHFFFAOYSA-N 0 0 289.423 3.124 50 0 CGAARN Cc1nc(NC(=O)N[C@H](C)c2ccccc2C)oc1C ZINC000049201649 369392016 /nfs/dbraw/zinc/39/20/16/369392016.db2.gz JQOHLUUZJOWDPQ-LLVKDONJSA-N 0 0 273.336 3.483 50 0 CGAARN COCCCNC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000049267202 369394826 /nfs/dbraw/zinc/39/48/26/369394826.db2.gz NAPMOESOEJYHDM-CQSZACIVSA-N 0 0 296.798 3.223 50 0 CGAARN Cc1cccc(SCC(=O)Nc2nccs2)c1 ZINC000049373160 369398918 /nfs/dbraw/zinc/39/89/18/369398918.db2.gz YAYCAOMYZUSBJQ-UHFFFAOYSA-N 0 0 264.375 3.182 50 0 CGAARN C[C@@H](N[C@@H]1C[C@@H](C)OC1=O)c1ccc(C(F)(F)F)cc1 ZINC000229582136 189799516 /nfs/dbraw/zinc/79/95/16/189799516.db2.gz OAJMRXHLUOXXEG-KBVBSXBZSA-N 0 0 287.281 3.060 50 0 CGAARN O=C(Nc1ccc2c(c1)CC(=O)N2)c1ccc(Cl)s1 ZINC000049506631 369404869 /nfs/dbraw/zinc/40/48/69/369404869.db2.gz MKMFGPOIUYCOBG-UHFFFAOYSA-N 0 0 292.747 3.148 50 0 CGAARN CCCC(C)(C)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000050498525 369439831 /nfs/dbraw/zinc/43/98/31/369439831.db2.gz NKEQKHGRMZKERQ-UHFFFAOYSA-N 0 0 295.379 3.021 50 0 CGAARN CSCC[C@@H](N)c1nc(-c2ccccc2Cl)no1 ZINC000050438486 369440045 /nfs/dbraw/zinc/44/00/45/369440045.db2.gz ZFYFAUSUZUGBJA-SNVBAGLBSA-N 0 0 283.784 3.143 50 0 CGAARN Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)s1 ZINC000053306619 369482523 /nfs/dbraw/zinc/48/25/23/369482523.db2.gz IOMFOELMVPLNNF-SNVBAGLBSA-N 0 0 289.356 3.276 50 0 CGAARN O=C(CCCc1ccc(Cl)cc1)NCC(F)(F)F ZINC000051422723 369448455 /nfs/dbraw/zinc/44/84/55/369448455.db2.gz RNQBQHGLHXTYRE-UHFFFAOYSA-N 0 0 279.689 3.341 50 0 CGAARN c1cc2c(ncnc2N2CCNc3ccccc3C2)s1 ZINC000052049966 369463152 /nfs/dbraw/zinc/46/31/52/369463152.db2.gz ZLPVIASYAFAWKB-UHFFFAOYSA-N 0 0 282.372 3.123 50 0 CGAARN CN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1 ZINC000053169401 369479757 /nfs/dbraw/zinc/47/97/57/369479757.db2.gz VADFVYFALSLMTB-UHFFFAOYSA-N 0 0 293.326 3.009 50 0 CGAARN CN(Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC000054237124 369500570 /nfs/dbraw/zinc/50/05/70/369500570.db2.gz XQYXIMJMWQODNJ-UHFFFAOYSA-N 0 0 265.360 3.205 50 0 CGAARN Fc1ccc(Br)cc1CN1CCCC1 ZINC000055043095 369508656 /nfs/dbraw/zinc/50/86/56/369508656.db2.gz VPDSQMHNVXFRSA-UHFFFAOYSA-N 0 0 258.134 3.184 50 0 CGAARN Cc1c(C(=O)Nc2cccc(C)n2)cnn1-c1ccccc1 ZINC000053638496 369487887 /nfs/dbraw/zinc/48/78/87/369487887.db2.gz GLVCXPNQQDWIPQ-UHFFFAOYSA-N 0 0 292.342 3.136 50 0 CGAARN COc1cccc([C@@H]2CCCN2Cc2cc(C)on2)c1 ZINC000054978898 369508969 /nfs/dbraw/zinc/50/89/69/369508969.db2.gz IFUYLHKIQQILFC-INIZCTEOSA-N 0 0 272.348 3.329 50 0 CGAARN Cc1cc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)n[nH]1 ZINC000054113622 369495580 /nfs/dbraw/zinc/49/55/80/369495580.db2.gz PNZZUVXPCGGKIT-UHFFFAOYSA-N 0 0 296.330 3.242 50 0 CGAARN O=C(Nc1nc(C(F)(F)F)cs1)OCC(F)(F)F ZINC000057217542 369532427 /nfs/dbraw/zinc/53/24/27/369532427.db2.gz WPIQMBCZSKMWBH-UHFFFAOYSA-N 0 0 294.176 3.273 50 0 CGAARN COC(=O)CCSc1cc(C)nc2ccccc21 ZINC000057312165 369533829 /nfs/dbraw/zinc/53/38/29/369533829.db2.gz CAUBDAUICXCBFG-UHFFFAOYSA-N 0 0 261.346 3.198 50 0 CGAARN CN(C(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1 ZINC000057413141 369537376 /nfs/dbraw/zinc/53/73/76/369537376.db2.gz SZGAVNWGPIMNTH-UHFFFAOYSA-N 0 0 283.356 3.415 50 0 CGAARN O=C(NCc1cccnc1)N1CCC[C@@H]1C1CCCCC1 ZINC000057422756 369538033 /nfs/dbraw/zinc/53/80/33/369538033.db2.gz LFBWUHQYUHXGCK-MRXNPFEDSA-N 0 0 287.407 3.336 50 0 CGAARN CN(C)C(=O)c1ccc(CNc2nc3ccccc3o2)cc1 ZINC000057547524 369540048 /nfs/dbraw/zinc/54/00/48/369540048.db2.gz AMWHCQJUGLEWDP-UHFFFAOYSA-N 0 0 295.342 3.142 50 0 CGAARN COc1ccc(C(=O)c2cccc(C)c2)c(OC)c1 ZINC000055232689 369513108 /nfs/dbraw/zinc/51/31/08/369513108.db2.gz YBWQNXPBHVAZIT-UHFFFAOYSA-N 0 0 256.301 3.243 50 0 CGAARN Cc1ccc(C)c(N2CCN(Cc3ccccn3)CC2)c1 ZINC000055292129 369514672 /nfs/dbraw/zinc/51/46/72/369514672.db2.gz FWAOUMHSNIEDLP-UHFFFAOYSA-N 0 0 281.403 3.021 50 0 CGAARN CN(C(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000057535955 369540332 /nfs/dbraw/zinc/54/03/32/369540332.db2.gz DDOPPSMQPKAWAQ-UHFFFAOYSA-N 0 0 277.327 3.149 50 0 CGAARN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccco1 ZINC000055943881 369522751 /nfs/dbraw/zinc/52/27/51/369522751.db2.gz UFKNXUQFIKSVHK-DZGCQCFKSA-N 0 0 289.306 3.069 50 0 CGAARN O=C(CC1CCCCC1)Nc1ccccc1Cn1cncn1 ZINC000055968701 369522803 /nfs/dbraw/zinc/52/28/03/369522803.db2.gz ILQJZFYIPJPWQS-UHFFFAOYSA-N 0 0 298.390 3.235 50 0 CGAARN CCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000057547337 369540555 /nfs/dbraw/zinc/54/05/55/369540555.db2.gz JFMARQZTZUMEBM-UHFFFAOYSA-N 0 0 279.343 3.084 50 0 CGAARN O=C(C1CCCC1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000056148502 369524791 /nfs/dbraw/zinc/52/47/91/369524791.db2.gz AGBFEVGSWCHNOA-QGZVFWFLSA-N 0 0 287.403 3.384 50 0 CGAARN CC(C)Cc1nnc(NC(=O)c2cc(Cl)ccn2)s1 ZINC000057663528 369545814 /nfs/dbraw/zinc/54/58/14/369545814.db2.gz LYVNKQJFVWYPGJ-UHFFFAOYSA-N 0 0 296.783 3.037 50 0 CGAARN CCc1ccc(-c2nc(C)c(C(=O)N(C)OC)s2)cc1 ZINC000057817631 369546858 /nfs/dbraw/zinc/54/68/58/369546858.db2.gz MWDBSQDAMPTLCI-UHFFFAOYSA-N 0 0 290.388 3.314 50 0 CGAARN CC(=O)Nc1cccc(NC(=O)N[C@H]2CCC[C@H](C)C2)c1 ZINC000057990924 369551319 /nfs/dbraw/zinc/55/13/19/369551319.db2.gz FCMXHWYNFDNKBF-AAEUAGOBSA-N 0 0 289.379 3.345 50 0 CGAARN Fc1ccccc1COc1ccc(-c2nnco2)cc1 ZINC000057985848 369551326 /nfs/dbraw/zinc/55/13/26/369551326.db2.gz AYDVRUSSFLMSJL-UHFFFAOYSA-N 0 0 270.263 3.455 50 0 CGAARN CNc1nc(C)c(-c2ccc(OC)c(OC)c2)s1 ZINC000058002519 369551879 /nfs/dbraw/zinc/55/18/79/369551879.db2.gz GWDWRTBAYQTBKJ-UHFFFAOYSA-N 0 0 264.350 3.177 50 0 CGAARN CCO[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000058087171 369555055 /nfs/dbraw/zinc/55/50/55/369555055.db2.gz IEXGBDBOLQTYON-QGZVFWFLSA-N 0 0 297.398 3.410 50 0 CGAARN O=C1OCC[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000058281871 369562151 /nfs/dbraw/zinc/56/21/51/369562151.db2.gz CZOXMCVZNGKAIT-QMMMGPOBSA-N 0 0 263.145 3.401 50 0 CGAARN CCC[C@H](NC(=O)CC(C)(C)C)c1nnc2ccccn21 ZINC000058367258 369564230 /nfs/dbraw/zinc/56/42/30/369564230.db2.gz AVZFSZRFXHXGKF-LBPRGKRZSA-N 0 0 288.395 3.123 50 0 CGAARN CCc1nc(SCCCc2nc3ccccc3o2)n[nH]1 ZINC000058342729 369565055 /nfs/dbraw/zinc/56/50/55/369565055.db2.gz XJRDOZKSUFROOL-UHFFFAOYSA-N 0 0 288.376 3.233 50 0 CGAARN CCOCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000058713480 369573107 /nfs/dbraw/zinc/57/31/07/369573107.db2.gz XDHFDLUJGLMBOQ-MRXNPFEDSA-N 0 0 273.376 3.092 50 0 CGAARN CC1CCC(C)(NC(=O)/C=C/c2cscn2)CC1 ZINC000060338032 369585741 /nfs/dbraw/zinc/58/57/41/369585741.db2.gz DCYRRJIFQXPTNI-ONEGZZNKSA-N 0 0 264.394 3.241 50 0 CGAARN COCC[C@@H]1CCCCN1C(=O)CSc1ccccc1 ZINC000219184127 376197588 /nfs/dbraw/zinc/19/75/88/376197588.db2.gz GLFMCHRXGAUSJN-AWEZNQCLSA-N 0 0 293.432 3.196 50 0 CGAARN O=C(NCCc1ccc(Cl)s1)c1cc(C2CC2)on1 ZINC000061925193 369612174 /nfs/dbraw/zinc/61/21/74/369612174.db2.gz RBORAXROZILZEX-UHFFFAOYSA-N 0 0 296.779 3.239 50 0 CGAARN COc1ccc(-c2c[nH]c(C)n2)c(-n2nc(C)cc2C)c1 ZINC000065371449 369669429 /nfs/dbraw/zinc/66/94/29/369669429.db2.gz MASPVBJRQAKKTK-UHFFFAOYSA-N 0 0 282.347 3.196 50 0 CGAARN Cc1n[nH]c(C[C@@H](c2ccco2)c2ccccc2)n1 ZINC000065369917 369669453 /nfs/dbraw/zinc/66/94/53/369669453.db2.gz ZTBREZPZBZLDHU-CYBMUJFWSA-N 0 0 253.305 3.081 50 0 CGAARN Cc1ccc(-c2cnc(N)c(C)c2)c(-n2cccn2)c1 ZINC000065387496 369670562 /nfs/dbraw/zinc/67/05/62/369670562.db2.gz VRMXAXDTQWFKJJ-UHFFFAOYSA-N 0 0 264.332 3.133 50 0 CGAARN Cn1cc(CC(=O)Nc2cccc(Cl)c2)c2cccnc21 ZINC000064542113 369654618 /nfs/dbraw/zinc/65/46/18/369654618.db2.gz JRRXMUWMEWRJAP-UHFFFAOYSA-N 0 0 299.761 3.408 50 0 CGAARN Cc1ccc2nc(-c3ccccc3F)cc(C(N)=O)c2c1 ZINC000064551450 369656072 /nfs/dbraw/zinc/65/60/72/369656072.db2.gz UIGRVFAUIYMNCO-UHFFFAOYSA-N 0 0 280.302 3.448 50 0 CGAARN Cc1cc(C(=O)NC(C)C)c2cc(Cl)ccc2n1 ZINC000064553213 369656774 /nfs/dbraw/zinc/65/67/74/369656774.db2.gz ZABVQYHGGADSKC-UHFFFAOYSA-N 0 0 262.740 3.335 50 0 CGAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000064555575 369657225 /nfs/dbraw/zinc/65/72/25/369657225.db2.gz NAGCNCDQTLWGRD-CQSZACIVSA-N 0 0 270.332 3.269 50 0 CGAARN CCc1cc(C(=O)Nc2ccc(C)cc2C)nc2ccnn21 ZINC000064760656 369660098 /nfs/dbraw/zinc/66/00/98/369660098.db2.gz BEQKIAVLWGYFPL-UHFFFAOYSA-N 0 0 294.358 3.161 50 0 CGAARN CCCCN(C)C(=O)CCc1cn(C)nc1-c1ccccc1 ZINC000064860924 369660942 /nfs/dbraw/zinc/66/09/42/369660942.db2.gz HAWJHWWPPMGWBG-UHFFFAOYSA-N 0 0 299.418 3.278 50 0 CGAARN CCS(=O)(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000064983954 369662082 /nfs/dbraw/zinc/66/20/82/369662082.db2.gz JTNLDHISOWKVMX-OAHLLOKOSA-N 0 0 281.421 3.262 50 0 CGAARN 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C[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1 ZINC000004072166 534247207 /nfs/dbraw/zinc/24/72/07/534247207.db2.gz KVPDHNKSKXROKT-ZDUSSCGKSA-N 0 0 254.333 3.439 50 0 CGAARN Cc1ccc([C@H](O)c2ccc(-n3ccnc3)cc2)cc1 ZINC000004025550 518189942 /nfs/dbraw/zinc/18/99/42/518189942.db2.gz LUYYGIMVQPPOFS-KRWDZBQOSA-N 0 0 264.328 3.262 50 0 CGAARN Cc1csc(CN(Cc2ccccc2)CC(C)(C)O)n1 ZINC000096492931 534804622 /nfs/dbraw/zinc/80/46/22/534804622.db2.gz BQSTYIPSWXZACY-UHFFFAOYSA-N 0 0 290.432 3.225 50 0 CGAARN Cc1ccsc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000048322519 525825512 /nfs/dbraw/zinc/82/55/12/525825512.db2.gz MAQWBVNPGZGVRI-JTQLQIEISA-N 0 0 285.372 3.424 50 0 CGAARN Cc1nc([C@H](C)NC(=O)N2C[C@@H](C)CC[C@H]2C)cs1 ZINC000257365906 527060535 /nfs/dbraw/zinc/06/05/35/527060535.db2.gz BKDDHKNYWZXZBI-AXFHLTTASA-N 0 0 281.425 3.343 50 0 CGAARN CC(=O)c1csc(C(=O)OCC[C@@H]2CCCCO2)c1 ZINC000096502359 527428075 /nfs/dbraw/zinc/42/80/75/527428075.db2.gz QUOZFJARZUWXNF-LBPRGKRZSA-N 0 0 282.361 3.067 50 0 CGAARN 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CCOc1ccccc1CCC(=O)N1CCC(C)CC1 ZINC000039977585 174181184 /nfs/dbraw/zinc/18/11/84/174181184.db2.gz JMVYXRGLGUGPDS-UHFFFAOYSA-N 0 0 275.392 3.276 50 0 CGAARN C[C@@H]1CCCCN1Cc1nc(-c2cccs2)no1 ZINC000039985821 174181801 /nfs/dbraw/zinc/18/18/01/174181801.db2.gz YKRMOIZGOFYUOE-SNVBAGLBSA-N 0 0 263.366 3.173 50 0 CGAARN CC(C)OCCCNC(=O)Nc1cccc2cccnc21 ZINC000040023847 174183325 /nfs/dbraw/zinc/18/33/25/174183325.db2.gz WDWGRZCLUMVCIJ-UHFFFAOYSA-N 0 0 287.363 3.171 50 0 CGAARN O=C(NCCCOCC1CC1)Nc1ccc2c(c1)CCC2 ZINC000040024023 174183824 /nfs/dbraw/zinc/18/38/24/174183824.db2.gz MLGHZSAOZRGOJY-UHFFFAOYSA-N 0 0 288.391 3.114 50 0 CGAARN Cc1ccc(C(=O)Nc2ccnn2CC(C)C)s1 ZINC000040047288 174184554 /nfs/dbraw/zinc/18/45/54/174184554.db2.gz UAKBBRUHZPXSSR-UHFFFAOYSA-N 0 0 263.366 3.161 50 0 CGAARN Cc1noc(COc2ccc(Cl)c(Cl)c2)n1 ZINC000040049335 174184984 /nfs/dbraw/zinc/18/49/84/174184984.db2.gz LMXLZVCUYOMNNC-UHFFFAOYSA-N 0 0 259.092 3.264 50 0 CGAARN Cc1cccc(CNC(=O)Cc2cccc3cccnc32)c1 ZINC000040059698 174185501 /nfs/dbraw/zinc/18/55/01/174185501.db2.gz DRQNLMMHCIYTHE-UHFFFAOYSA-N 0 0 290.366 3.402 50 0 CGAARN CC(C)CSCC(=O)N1CCC(c2ccccc2)=N1 ZINC000040059292 174185720 /nfs/dbraw/zinc/18/57/20/174185720.db2.gz ROQRKYKWLYBKFL-UHFFFAOYSA-N 0 0 276.405 3.012 50 0 CGAARN Cc1ccc([C@@H](O)CNC(=O)c2cccc(C)c2C)cc1 ZINC000040089549 174188808 /nfs/dbraw/zinc/18/88/08/174188808.db2.gz PTDPRGPUURVUJA-KRWDZBQOSA-N 0 0 283.371 3.075 50 0 CGAARN CNC(=O)c1ccc(OCc2cccc3cccnc32)cc1 ZINC000040090168 174189152 /nfs/dbraw/zinc/18/91/52/174189152.db2.gz WBKCKYGFMRFJDM-UHFFFAOYSA-N 0 0 292.338 3.173 50 0 CGAARN CCCCOc1cccc(CNC(=O)c2ccoc2)c1 ZINC000040122183 174193030 /nfs/dbraw/zinc/19/30/30/174193030.db2.gz MZTWXJZYUGTQGQ-UHFFFAOYSA-N 0 0 273.332 3.389 50 0 CGAARN Cc1ccc(CNC(=O)CCc2ccccc2)s1 ZINC000040122216 174193458 /nfs/dbraw/zinc/19/34/58/174193458.db2.gz RJVXGXCBAJQPDD-UHFFFAOYSA-N 0 0 259.374 3.306 50 0 CGAARN COc1ccccc1CNC(=O)c1ccc2ccn(C)c2c1 ZINC000040285253 174218969 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O=C1COc2ccc(Cl)cc2CN1Cc1cccs1 ZINC000065184392 284830987 /nfs/dbraw/zinc/83/09/87/284830987.db2.gz GOCIGKDTUXTBAP-UHFFFAOYSA-N 0 0 293.775 3.323 50 0 CGAARN CC(=O)c1c(C)n(C(=O)c2ccccc2)nc1C(F)(F)F ZINC000000104038 169537620 /nfs/dbraw/zinc/53/76/20/169537620.db2.gz QAPSEDILQQYRIT-UHFFFAOYSA-N 0 0 296.248 3.101 50 0 CGAARN CC(=O)c1c(C)nc(-c2ccc(C)cc2)[nH]c1=S ZINC000000124217 169544587 /nfs/dbraw/zinc/54/45/87/169544587.db2.gz VYOQJIJSOSCJIN-UHFFFAOYSA-N 0 0 258.346 3.252 50 0 CGAARN COc1ccc(OC(=O)NCCc2ccccc2)cc1 ZINC000000135175 169549204 /nfs/dbraw/zinc/54/92/04/169549204.db2.gz UVMZWARHNSFSHK-UHFFFAOYSA-N 0 0 271.316 3.026 50 0 CGAARN COc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1 ZINC000000135948 169549670 /nfs/dbraw/zinc/54/96/70/169549670.db2.gz FQFXLVGFVVSKQO-UHFFFAOYSA-N 0 0 277.270 3.155 50 0 CGAARN O=C1C2CCN(CC2)[C@]12C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000059607566 296313707 /nfs/dbraw/zinc/31/37/07/296313707.db2.gz MMMYWHJDJNRVGE-HIFRSBDPSA-N 0 0 295.304 3.226 50 0 CGAARN 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298.386 3.297 50 0 CGAARN O=C(Cc1ccc(OC(F)F)cc1)Nc1ccncc1F ZINC000132128741 534703100 /nfs/dbraw/zinc/70/31/00/534703100.db2.gz AEZCHTGZCZSYJF-UHFFFAOYSA-N 0 0 296.248 3.003 50 0 CGAARN CCc1ccc(NC(=O)COC(=O)c2ccccc2)cc1 ZINC000003398767 523972590 /nfs/dbraw/zinc/97/25/90/523972590.db2.gz HHDFXBCFXHQBEH-UHFFFAOYSA-N 0 0 283.327 3.045 50 0 CGAARN C/C=C\C[S@@](=O)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000098016356 526337702 /nfs/dbraw/zinc/33/77/02/526337702.db2.gz PNLKFXAZSBAWFY-FBQMEGEOSA-N 0 0 288.416 3.314 50 0 CGAARN O=C(CCCn1cccc1)NCCc1c[nH]c2ccccc12 ZINC000049470265 526470827 /nfs/dbraw/zinc/47/08/27/526470827.db2.gz LOWKRYHTVBEZAG-UHFFFAOYSA-N 0 0 295.386 3.109 50 0 biogenic CGAARN Cc1nn(C)c(Cl)c1CN1CCC(C(F)(F)F)CC1 ZINC000088420049 527666218 /nfs/dbraw/zinc/66/62/18/527666218.db2.gz FIQKKAQMTWURRQ-UHFFFAOYSA-N 0 0 295.736 3.156 50 0 CGAARN CC(C)n1nccc1NC(=O)NCCC1=CCCC1 ZINC000096483888 528682356 /nfs/dbraw/zinc/68/23/56/528682356.db2.gz YYYHNVAGJFPYJT-UHFFFAOYSA-N 0 0 262.357 3.086 50 0 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3.294 50 0 CGAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 ZINC000004488755 368547579 /nfs/dbraw/zinc/54/75/79/368547579.db2.gz LAYLXGGTNSMQEK-SNVBAGLBSA-N 0 0 287.315 3.006 50 0 CGAARN CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccco1 ZINC000004511889 368548698 /nfs/dbraw/zinc/54/86/98/368548698.db2.gz GHMNIQSNQLECJY-HNNXBMFYSA-N 0 0 273.332 3.062 50 0 CGAARN Cc1ccn(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000004520628 368549118 /nfs/dbraw/zinc/54/91/18/368549118.db2.gz PIEHEWSLPWZSNY-UHFFFAOYSA-N 0 0 283.356 3.495 50 0 CGAARN COc1cccc(CCC(=O)NC2CCCC2)c1Cl ZINC000004542843 368550362 /nfs/dbraw/zinc/55/03/62/368550362.db2.gz DJQUITVHHIUXOH-UHFFFAOYSA-N 0 0 281.783 3.340 50 0 CGAARN CN(C)c1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000008297330 368573858 /nfs/dbraw/zinc/57/38/58/368573858.db2.gz WXWSREOLKNLGJT-UHFFFAOYSA-N 0 0 276.361 3.037 50 0 CGAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1csnn1 ZINC000009250864 368575511 /nfs/dbraw/zinc/57/55/11/368575511.db2.gz ZIHUXEGRVUPBBG-UHFFFAOYSA-N 0 0 296.764 3.054 50 0 CGAARN CC(C)[C@@H]1Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21 ZINC000009312337 368575618 /nfs/dbraw/zinc/57/56/18/368575618.db2.gz JSCHTMXWJLGDCJ-NSHDSACASA-N 0 0 272.373 3.434 50 0 CGAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCCO1 ZINC000011839943 368596917 /nfs/dbraw/zinc/59/69/17/368596917.db2.gz LLOKBNKHDJDWNG-UHFFFAOYSA-N 0 0 259.305 3.136 50 0 CGAARN O=C(C[C@H]1C=CCC1)NCc1coc(-c2cccs2)n1 ZINC000010879966 368586938 /nfs/dbraw/zinc/58/69/38/368586938.db2.gz CPLNXVJPIHTQLR-NSHDSACASA-N 0 0 288.372 3.376 50 0 CGAARN Cc1cc(NC(=O)[C@H](C)Nc2ccc(C)c(Cl)c2)on1 ZINC000011128944 368588489 /nfs/dbraw/zinc/58/84/89/368588489.db2.gz GOWOVCHQHLPTMF-JTQLQIEISA-N 0 0 293.754 3.384 50 0 CGAARN O=C(COc1ccccc1F)N[C@@H](c1ccccc1)C1CC1 ZINC000011207545 368588617 /nfs/dbraw/zinc/58/86/17/368588617.db2.gz NVOCRSZRUAUNNH-SFHVURJKSA-N 0 0 299.345 3.472 50 0 CGAARN O=C(C1CC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011071555 368588800 /nfs/dbraw/zinc/58/88/00/368588800.db2.gz LRUCMBBPCMRHPA-UHFFFAOYSA-N 0 0 266.344 3.194 50 0 CGAARN O=C(CSc1nnc(C2CC2)[nH]1)c1ccc(Cl)s1 ZINC000011470056 368590352 /nfs/dbraw/zinc/59/03/52/368590352.db2.gz FZFKGZNOUVBFBD-UHFFFAOYSA-N 0 0 299.808 3.372 50 0 CGAARN COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C)o2)cc1 ZINC000011565720 368591570 /nfs/dbraw/zinc/59/15/70/368591570.db2.gz QFPIWXVYIPNKMM-NSHDSACASA-N 0 0 288.299 3.025 50 0 CGAARN CCC(CC)c1nnc(NC(=O)c2ccccc2O)s1 ZINC000011639271 368593255 /nfs/dbraw/zinc/59/32/55/368593255.db2.gz HVAQXGLIGIPWON-UHFFFAOYSA-N 0 0 291.376 3.400 50 0 CGAARN CCn1ccc(C(=O)Nc2ccc3nc(C)sc3c2)n1 ZINC000011738114 368596108 /nfs/dbraw/zinc/59/61/08/368596108.db2.gz WALWTIONCGJMGM-UHFFFAOYSA-N 0 0 286.360 3.073 50 0 CGAARN O=C(Cc1coc2ccc3ccccc3c12)NC1CC1 ZINC000006433312 368567202 /nfs/dbraw/zinc/56/72/02/368567202.db2.gz VFLTVSNHLVUPBI-UHFFFAOYSA-N 0 0 265.312 3.407 50 0 CGAARN O=S(=O)(Oc1ccc(Cl)cc1)c1cccs1 ZINC000011851874 368598111 /nfs/dbraw/zinc/59/81/11/368598111.db2.gz OURMYNTUPNOGIY-UHFFFAOYSA-N 0 0 274.750 3.169 50 0 CGAARN Nc1nc(CSCc2ccc(F)cc2)cs1 ZINC000011920153 368600046 /nfs/dbraw/zinc/60/00/46/368600046.db2.gz XXLUMPMEWNMSBI-UHFFFAOYSA-N 0 0 254.355 3.298 50 0 CGAARN C[C@]12CC3CC(C(=O)Nc4ncccn4)(C1)C[C@@](C)(C3)C2 ZINC000013736807 368664586 /nfs/dbraw/zinc/66/45/86/368664586.db2.gz QBBFZSWXMAHHGU-TWDRJXRQSA-N 0 0 285.391 3.412 50 0 CGAARN CSCc1csc(NC(=O)Cc2cccc(C)c2)n1 ZINC000012230179 368606637 /nfs/dbraw/zinc/60/66/37/368606637.db2.gz IICKJJSKSBCRRS-UHFFFAOYSA-N 0 0 292.429 3.496 50 0 CGAARN CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012381319 368610350 /nfs/dbraw/zinc/61/03/50/368610350.db2.gz FWIRSPFOXVFAPZ-UHFFFAOYSA-N 0 0 288.391 3.297 50 0 CGAARN C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000012383315 368610757 /nfs/dbraw/zinc/61/07/57/368610757.db2.gz WFAGSUOYMAWPOD-PRHODGIISA-N 0 0 288.174 3.291 50 0 CGAARN CCCCCc1c(C)nc(N2C[C@H](C)C[C@H](C)C2)[nH]c1=O ZINC000012406220 368611784 /nfs/dbraw/zinc/61/17/84/368611784.db2.gz HOYPJGAKAMQEDI-BETUJISGSA-N 0 0 291.439 3.293 50 0 CGAARN O=C(c1ccc(F)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000012441508 368612739 /nfs/dbraw/zinc/61/27/39/368612739.db2.gz ZOGVDCGPMVOVCG-INIZCTEOSA-N 0 0 285.318 3.039 50 0 CGAARN CC(C)c1nc2cc(C(=O)N3CCSCC3)ccc2o1 ZINC000012432322 368613301 /nfs/dbraw/zinc/61/33/01/368613301.db2.gz FVAMLCKLMPJDSR-UHFFFAOYSA-N 0 0 290.388 3.140 50 0 CGAARN O=C(Cc1cc(-c2ccc(Cl)cc2)on1)N1CCCC1 ZINC000012422166 368613603 /nfs/dbraw/zinc/61/36/03/368613603.db2.gz FLXWAEITDYXJCV-UHFFFAOYSA-N 0 0 290.750 3.160 50 0 CGAARN CCN(Cc1nc(CC2CC2)no1)Cc1ccccc1 ZINC000012438423 368613609 /nfs/dbraw/zinc/61/36/09/368613609.db2.gz BWTRVKBHZCSGQO-UHFFFAOYSA-N 0 0 271.364 3.044 50 0 CGAARN Cc1ncsc1C(=O)N1CCO[C@H](CCCC(C)C)C1 ZINC000012439655 368613654 /nfs/dbraw/zinc/61/36/54/368613654.db2.gz SCYHAXMIONYEOV-CYBMUJFWSA-N 0 0 296.436 3.119 50 0 CGAARN COc1ccccc1C(=O)CSc1ccccn1 ZINC000012487237 368614431 /nfs/dbraw/zinc/61/44/31/368614431.db2.gz LRGNYRGMNJSODH-UHFFFAOYSA-N 0 0 259.330 3.065 50 0 CGAARN Cc1ccc(C(=O)Oc2ccc3c(c2)ncn3C)cc1 ZINC000012523792 368615884 /nfs/dbraw/zinc/61/58/84/368615884.db2.gz JIFYBOMBLNIYMA-UHFFFAOYSA-N 0 0 266.300 3.101 50 0 CGAARN Cc1cccnc1NC(=O)c1csc(Br)c1 ZINC000012536426 368617282 /nfs/dbraw/zinc/61/72/82/368617282.db2.gz DKVDDWWUONSOKW-UHFFFAOYSA-N 0 0 297.177 3.466 50 0 CGAARN Cc1cn2c(CC(=O)Nc3ccccc3F)csc2n1 ZINC000012544325 368618344 /nfs/dbraw/zinc/61/83/44/368618344.db2.gz SWFIZLHTVFNFHQ-UHFFFAOYSA-N 0 0 289.335 3.025 50 0 CGAARN COc1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000012545366 368618829 /nfs/dbraw/zinc/61/88/29/368618829.db2.gz QQAWNZIXAZJDCH-MRXNPFEDSA-N 0 0 282.343 3.068 50 0 CGAARN OCCSc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000012549284 368620033 /nfs/dbraw/zinc/62/00/33/368620033.db2.gz HOMZYARJFAUIDQ-UHFFFAOYSA-N 0 0 297.383 3.458 50 0 CGAARN O=C(c1cnc2sc3ccccc3n12)C(F)(F)F ZINC000012624348 368623170 /nfs/dbraw/zinc/62/31/70/368623170.db2.gz JGHVKYDASWZJFM-UHFFFAOYSA-N 0 0 270.235 3.294 50 0 CGAARN O=C(Nc1nc(CN2CCCC2)cs1)C1CCCCC1 ZINC000012733921 368624514 /nfs/dbraw/zinc/62/45/14/368624514.db2.gz HCBNDSWJSSYMRO-UHFFFAOYSA-N 0 0 293.436 3.258 50 0 CGAARN C[C@H](NC(=O)Cc1noc2ccccc21)c1ccccc1F ZINC000012739938 368625664 /nfs/dbraw/zinc/62/56/64/368625664.db2.gz WNKLFEMYMZCWIN-NSHDSACASA-N 0 0 298.317 3.387 50 0 CGAARN Cc1noc([C@@H](C)Sc2nnc(C3CCCC3)[nH]2)n1 ZINC000012768752 368627219 /nfs/dbraw/zinc/62/72/19/368627219.db2.gz RJVSJPMXIPAKLG-SSDOTTSWSA-N 0 0 279.369 3.007 50 0 CGAARN O=C(Nc1ccccc1-c1cccs1)c1cnccn1 ZINC000012798568 368627581 /nfs/dbraw/zinc/62/75/81/368627581.db2.gz PGELTZQMCOQBAT-UHFFFAOYSA-N 0 0 281.340 3.457 50 0 CGAARN Cc1cc(N2CCC([C@H](O)c3ccccc3)CC2)nc(C)n1 ZINC000012874269 368630326 /nfs/dbraw/zinc/63/03/26/368630326.db2.gz MLCCWLKRHVKFKD-GOSISDBHSA-N 0 0 297.402 3.043 50 0 CGAARN C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(F)cc1 ZINC000012860917 368630784 /nfs/dbraw/zinc/63/07/84/368630784.db2.gz NIEGBAUGCBYKOY-IUODEOHRSA-N 0 0 278.371 3.246 50 0 CGAARN Cc1nnc(COc2cc(Cl)ccc2Cl)o1 ZINC000012882646 368631981 /nfs/dbraw/zinc/63/19/81/368631981.db2.gz CPGIQTQUSRBINQ-UHFFFAOYSA-N 0 0 259.092 3.264 50 0 CGAARN Cc1ccc(C)c(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000012915079 368633089 /nfs/dbraw/zinc/63/30/89/368633089.db2.gz BOFVRBMUCCXDKL-UHFFFAOYSA-N 0 0 292.338 3.397 50 0 CGAARN Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3)n1 ZINC000012906610 368633101 /nfs/dbraw/zinc/63/31/01/368633101.db2.gz SFBSALGJUOKXJV-UHFFFAOYSA-N 0 0 252.317 3.131 50 0 CGAARN CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000012909664 368633373 /nfs/dbraw/zinc/63/33/73/368633373.db2.gz WQMSYWHMHNLYFW-GFCCVEGCSA-N 0 0 272.348 3.330 50 0 CGAARN C[C@H](C1CC1)N(C)C(=O)c1ccc(Br)cc1 ZINC000012919978 368634291 /nfs/dbraw/zinc/63/42/91/368634291.db2.gz QQUIFQJBWREYQD-SECBINFHSA-N 0 0 282.181 3.320 50 0 CGAARN C[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000012978335 368638408 /nfs/dbraw/zinc/63/84/08/368638408.db2.gz YMXXNPQXTCIMIF-SNVBAGLBSA-N 0 0 260.312 3.179 50 0 CGAARN CC(C)(C)C(=O)Nc1ccc(NC(=O)C2CCC2)cc1 ZINC000012985024 368638614 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Cc1cc(CN(C)C(=O)Nc2ccc(Cl)cc2)no1 ZINC000027353910 368869951 /nfs/dbraw/zinc/86/99/51/368869951.db2.gz VIVPEDCGPPCTTC-UHFFFAOYSA-N 0 0 279.727 3.300 50 0 CGAARN CCOc1ccccc1CCC(=O)Nc1cc(C)ccn1 ZINC000027648437 368874605 /nfs/dbraw/zinc/87/46/05/368874605.db2.gz CQDVZODXYQVMHB-UHFFFAOYSA-N 0 0 284.359 3.360 50 0 CGAARN Cc1nc(CCNC(=O)c2cccc(Cl)c2)cs1 ZINC000027991625 368879272 /nfs/dbraw/zinc/87/92/72/368879272.db2.gz MRDMQQUEWCBILY-UHFFFAOYSA-N 0 0 280.780 3.077 50 0 CGAARN O=C(c1ccccc1C(F)(F)F)N1CCCCC1 ZINC000028210664 368882346 /nfs/dbraw/zinc/88/23/46/368882346.db2.gz KLQFJUMWSJGBEQ-UHFFFAOYSA-N 0 0 257.255 3.332 50 0 CGAARN Cc1ccc(-c2nc(CCNC(=O)C(C)C)cs2)cc1 ZINC000028288409 368885162 /nfs/dbraw/zinc/88/51/62/368885162.db2.gz KAUZHFMVDDPTJT-UHFFFAOYSA-N 0 0 288.416 3.433 50 0 CGAARN CC(=O)c1c[nH]c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000028643746 368888020 /nfs/dbraw/zinc/88/80/20/368888020.db2.gz HPQUFHGGTUDLAA-HNNXBMFYSA-N 0 0 282.343 3.025 50 0 CGAARN Cc1ccn2c(=O)cc(COc3c(C)cccc3C)nc2c1 ZINC000028942416 368889929 /nfs/dbraw/zinc/88/99/29/368889929.db2.gz IVXYBEDOLVQFAL-UHFFFAOYSA-N 0 0 294.354 3.199 50 0 CGAARN CC(C)(C)c1ccc2cc(C(=O)NC3CC3)[nH]c2c1 ZINC000029052586 368891709 /nfs/dbraw/zinc/89/17/09/368891709.db2.gz WBFUOIFHLLGOEC-UHFFFAOYSA-N 0 0 256.349 3.358 50 0 CGAARN CCCCNC(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000029723301 368898322 /nfs/dbraw/zinc/89/83/22/368898322.db2.gz FONJVVFBQNXSRR-MRXNPFEDSA-N 0 0 283.375 3.270 50 0 CGAARN COc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1F ZINC000030161944 368901328 /nfs/dbraw/zinc/90/13/28/368901328.db2.gz SFHBOOSWQNJSOF-UHFFFAOYSA-N 0 0 295.260 3.043 50 0 CGAARN C[C@H]1c2cccn2CCN1C(=O)c1cn(C)c2ccccc12 ZINC000030264024 368902262 /nfs/dbraw/zinc/90/22/62/368902262.db2.gz HFGPPNLTJKBJDZ-ZDUSSCGKSA-N 0 0 293.370 3.197 50 0 CGAARN O=S(=O)(NC1(c2ccccc2)CCC1)c1cccs1 ZINC000030384428 368902365 /nfs/dbraw/zinc/90/23/65/368902365.db2.gz JPYYVRAQEHPTBZ-UHFFFAOYSA-N 0 0 293.413 3.106 50 0 CGAARN Cc1noc(C(C)C)c1C(=O)NCc1cc(F)cc(F)c1 ZINC000030499907 368903456 /nfs/dbraw/zinc/90/34/56/368903456.db2.gz DQUXTUQLHVGPAB-UHFFFAOYSA-N 0 0 294.301 3.315 50 0 CGAARN CCc1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)s1 ZINC000030448350 368903754 /nfs/dbraw/zinc/90/37/54/368903754.db2.gz IHTRNODQNACBNG-UHFFFAOYSA-N 0 0 296.417 3.052 50 0 CGAARN Cc1cc(NC(=O)CCc2ccc(OC(F)F)cc2)no1 ZINC000030600765 368904784 /nfs/dbraw/zinc/90/47/84/368904784.db2.gz HWQRUUUWQXRNFG-UHFFFAOYSA-N 0 0 296.273 3.156 50 0 CGAARN Cc1[nH]c2c(cccc2C(=O)N2CCCCC2)c1C ZINC000025671666 368850882 /nfs/dbraw/zinc/85/08/82/368850882.db2.gz POSNKTYBJDORDD-UHFFFAOYSA-N 0 0 256.349 3.411 50 0 CGAARN O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCO1 ZINC000031205560 368912803 /nfs/dbraw/zinc/91/28/03/368912803.db2.gz YHBNFKNWSHNSNB-HNNXBMFYSA-N 0 0 275.348 3.126 50 0 CGAARN Brc1ncccc1OCc1ccccc1 ZINC000034459738 368974181 /nfs/dbraw/zinc/97/41/81/368974181.db2.gz PYSNKVYGLPCQPE-UHFFFAOYSA-N 0 0 264.122 3.423 50 0 CGAARN Cc1cc(CSc2n[nH]c(-c3ccc(C)cc3)n2)on1 ZINC000032385771 368930193 /nfs/dbraw/zinc/93/01/93/368930193.db2.gz ZEODOXOPLBOSEC-UHFFFAOYSA-N 0 0 286.360 3.369 50 0 CGAARN Cc1cccc(-c2nc(CSc3nncs3)no2)c1 ZINC000032325823 368930737 /nfs/dbraw/zinc/93/07/37/368930737.db2.gz TYJUSJLGZRHFNE-UHFFFAOYSA-N 0 0 290.373 3.189 50 0 CGAARN CC(C)(CNC(=O)/C=C/c1cccnc1)c1ccccc1 ZINC000032474317 368931653 /nfs/dbraw/zinc/93/16/53/368931653.db2.gz BUAAMTYVEYOCOL-ZHACJKMWSA-N 0 0 280.371 3.189 50 0 CGAARN O=C(Cn1c2ccccc2nc1-c1cccs1)NC1CC1 ZINC000032498013 368932799 /nfs/dbraw/zinc/93/27/99/368932799.db2.gz RIRZTRYOCSSXDE-UHFFFAOYSA-N 0 0 297.383 3.043 50 0 CGAARN c1[nH]nc2cc(Nc3ncnc4ccccc43)ccc12 ZINC000032540775 368934798 /nfs/dbraw/zinc/93/47/98/368934798.db2.gz MASQPYZWDWYKDW-UHFFFAOYSA-N 0 0 261.288 3.250 50 0 CGAARN C[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1Cl ZINC000032564208 368935643 /nfs/dbraw/zinc/93/56/43/368935643.db2.gz NJTZROZXNLCYGR-SNVBAGLBSA-N 0 0 269.747 3.423 50 0 CGAARN Cc1n[nH]c(C)c1-c1nc(C2(c3ccccc3)CC2)no1 ZINC000032590376 368937685 /nfs/dbraw/zinc/93/76/85/368937685.db2.gz NHXMVIBYAGKMLU-UHFFFAOYSA-N 0 0 280.331 3.156 50 0 CGAARN CCn1nc(C)c(NC(=O)[C@H]2C[C@H]2c2ccccc2)c1C ZINC000032610757 368938397 /nfs/dbraw/zinc/93/83/97/368938397.db2.gz QERPTAANGMPMCI-GJZGRUSLSA-N 0 0 283.375 3.262 50 0 CGAARN CC[C@H](C)n1nccc1NC(=O)c1ccccc1OC ZINC000032647789 368939885 /nfs/dbraw/zinc/93/98/85/368939885.db2.gz BKWUQCJZYWKIDB-NSHDSACASA-N 0 0 273.336 3.115 50 0 CGAARN Cc1csc(SCC(=O)N(C)Cc2ccc(C)o2)n1 ZINC000032745287 368942871 /nfs/dbraw/zinc/94/28/71/368942871.db2.gz BPJFGCZNJQVAAM-UHFFFAOYSA-N 0 0 296.417 3.104 50 0 CGAARN CN(Cc1nc(C(C)(C)C)no1)CC1CCCCC1 ZINC000032769953 368944011 /nfs/dbraw/zinc/94/40/11/368944011.db2.gz YINVLARPDVLJFJ-UHFFFAOYSA-N 0 0 265.401 3.379 50 0 CGAARN C[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)F)cc1 ZINC000032764642 368944484 /nfs/dbraw/zinc/94/44/84/368944484.db2.gz VBJHXMTVVIUNQA-VIFPVBQESA-N 0 0 281.258 3.372 50 0 CGAARN Cc1nc(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)cs1 ZINC000032787649 368946009 /nfs/dbraw/zinc/94/60/09/368946009.db2.gz JYGLGSFSIVAMGJ-GWCFXTLKSA-N 0 0 266.410 3.031 50 0 CGAARN O=C(CCc1ccco1)Nc1cccc(Cn2cccn2)c1 ZINC000032817265 368947082 /nfs/dbraw/zinc/94/70/82/368947082.db2.gz MZZKNOGACXDRCS-UHFFFAOYSA-N 0 0 295.342 3.096 50 0 CGAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCC2)cc1 ZINC000032819522 368947129 /nfs/dbraw/zinc/94/71/29/368947129.db2.gz JHIUEXADJBIUBI-HNNXBMFYSA-N 0 0 259.349 3.159 50 0 CGAARN Cc1ccccc1OCC(=O)N1CCc2sccc2C1 ZINC000032883739 368949323 /nfs/dbraw/zinc/94/93/23/368949323.db2.gz RIMAPOQZXJGMFQ-UHFFFAOYSA-N 0 0 287.384 3.020 50 0 CGAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c[nH]nc2c1 ZINC000032900984 368950395 /nfs/dbraw/zinc/95/03/95/368950395.db2.gz WPTYYDVJENRNBK-ZDUSSCGKSA-N 0 0 293.370 3.314 50 0 CGAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c[nH]nc2c1 ZINC000032900985 368950585 /nfs/dbraw/zinc/95/05/85/368950585.db2.gz WPTYYDVJENRNBK-CYBMUJFWSA-N 0 0 293.370 3.314 50 0 CGAARN CN(C(=O)Nc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000032905390 368951140 /nfs/dbraw/zinc/95/11/40/368951140.db2.gz XIAJTMKCLPGHCZ-OAHLLOKOSA-N 0 0 267.332 3.233 50 0 CGAARN CCN(Cc1cccs1)C(=O)c1cc(C2CC2)on1 ZINC000032903956 368951224 /nfs/dbraw/zinc/95/12/24/368951224.db2.gz ITOICCYOFRKIDX-UHFFFAOYSA-N 0 0 276.361 3.276 50 0 CGAARN CCc1nc(CSc2nnnn2C2CCCC2)cs1 ZINC000032905034 368951243 /nfs/dbraw/zinc/95/12/43/368951243.db2.gz QXVUFWRCAOSSLY-UHFFFAOYSA-N 0 0 295.437 3.099 50 0 CGAARN Cc1cc(C)n(-c2ccc(CCNC(=O)C(C)(C)C)cc2)n1 ZINC000032931031 368953732 /nfs/dbraw/zinc/95/37/32/368953732.db2.gz CEGZEDPDEHAFOR-UHFFFAOYSA-N 0 0 299.418 3.194 50 0 CGAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1C ZINC000032964013 368955265 /nfs/dbraw/zinc/95/52/65/368955265.db2.gz GYARTYAJWMGHFW-QGZVFWFLSA-N 0 0 298.430 3.308 50 0 CGAARN Cc1noc2ncc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc12 ZINC000033101282 368957406 /nfs/dbraw/zinc/95/74/06/368957406.db2.gz UCZIIZQGDGHEIP-GWCFXTLKSA-N 0 0 287.363 3.182 50 0 CGAARN C[C@H](Cc1ccco1)NC(=O)CSc1ccc(F)cc1 ZINC000033207379 368960040 /nfs/dbraw/zinc/96/00/40/368960040.db2.gz JQVYTTNBSWSWKG-LLVKDONJSA-N 0 0 293.363 3.258 50 0 CGAARN CC(C)c1nnc(NC(=O)/C=C\c2ccccc2)s1 ZINC000033286479 368960663 /nfs/dbraw/zinc/96/06/63/368960663.db2.gz UAAGVSFYYCHMQM-HJWRWDBZSA-N 0 0 273.361 3.313 50 0 CGAARN COc1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000033330414 368962209 /nfs/dbraw/zinc/96/22/09/368962209.db2.gz IXNIKROVFGFHOY-WCIBSUBMSA-N 0 0 271.291 3.486 50 0 CGAARN COc1ccccc1NC(=O)/C=C\c1ccc(C)o1 ZINC000033414193 368964032 /nfs/dbraw/zinc/96/40/32/368964032.db2.gz LBUGLYCXRFECEN-KTKRTIGZSA-N 0 0 257.289 3.249 50 0 CGAARN COc1ccccc1[C@H](C)NC(=O)/C=C\c1ccco1 ZINC000033476507 368965469 /nfs/dbraw/zinc/96/54/69/368965469.db2.gz OGTXMGUJRWTKSG-PRDAAYKISA-N 0 0 271.316 3.179 50 0 CGAARN CC[C@@H](C)NC(=O)c1ccc(-c2ccccc2)nc1 ZINC000035891924 369005406 /nfs/dbraw/zinc/00/54/06/369005406.db2.gz BKASRYYVHDOXPJ-GFCCVEGCSA-N 0 0 254.333 3.277 50 0 CGAARN CCC(=O)N(CC)Cc1cc(-c2ccc(OC)cc2)on1 ZINC000036004648 369005524 /nfs/dbraw/zinc/00/55/24/369005524.db2.gz KXUUSEYJAFBJOV-UHFFFAOYSA-N 0 0 288.347 3.109 50 0 CGAARN C[C@@H]1CN(CC(=O)c2ccccc2O)Cc2ccccc21 ZINC000036372531 369017640 /nfs/dbraw/zinc/01/76/40/369017640.db2.gz JPFQDFAAXYPWPI-CYBMUJFWSA-N 0 0 281.355 3.194 50 0 CGAARN C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCO1 ZINC000036390155 369019651 /nfs/dbraw/zinc/01/96/51/369019651.db2.gz LRWICNYAPZPFPD-MAZHCROVSA-N 0 0 288.391 3.004 50 0 CGAARN O=C(C1CCCCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000036392919 369019954 /nfs/dbraw/zinc/01/99/54/369019954.db2.gz HJKJVYKIMYRBQG-LLVKDONJSA-N 0 0 263.303 3.368 50 0 CGAARN C[C@@H](NC(=O)NCc1cccc(F)c1)c1cccs1 ZINC000036394871 369021060 /nfs/dbraw/zinc/02/10/60/369021060.db2.gz PXMOIJFYUJJWMZ-SNVBAGLBSA-N 0 0 278.352 3.448 50 0 CGAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(C)nc1 ZINC000036657058 369024102 /nfs/dbraw/zinc/02/41/02/369024102.db2.gz LSIZZUXSQVLMHC-UHFFFAOYSA-N 0 0 294.358 3.402 50 0 CGAARN Cc1n[nH]c(C)c1NC(=O)Nc1cccc(Cl)c1 ZINC000036734210 369027408 /nfs/dbraw/zinc/02/74/08/369027408.db2.gz TZXBZFIMWVIUCG-UHFFFAOYSA-N 0 0 264.716 3.324 50 0 CGAARN COC(=O)c1sc(N2C[C@H](C)C[C@@H](C)C2)nc1Cl ZINC000037563328 369088654 /nfs/dbraw/zinc/08/86/54/369088654.db2.gz VCPMKOQRRUNYBT-HTQZYQBOSA-N 0 0 288.800 3.065 50 0 CGAARN Cc1c2cc3c(cc2nc2c1C(=O)CC(C)(C)C2)OCO3 ZINC000037077166 369059807 /nfs/dbraw/zinc/05/98/07/369059807.db2.gz WUVIZXVXRGEDBW-UHFFFAOYSA-N 0 0 283.327 3.427 50 0 CGAARN CCOC(=O)CCCc1ccc(Br)cc1 ZINC000039320216 369149563 /nfs/dbraw/zinc/14/95/63/369149563.db2.gz KCLNIIVASYXCES-UHFFFAOYSA-N 0 0 271.154 3.335 50 0 CGAARN CN(C(=O)Cc1cccc2cccnc21)C1CCCC1 ZINC000040034516 369152419 /nfs/dbraw/zinc/15/24/19/369152419.db2.gz LIGFMRRQBWGERG-UHFFFAOYSA-N 0 0 268.360 3.178 50 0 CGAARN CC(C)Nc1cc(I)c(Cl)cn1 ZINC000040118247 369152456 /nfs/dbraw/zinc/15/24/56/369152456.db2.gz WLFMFNGQAVYODS-UHFFFAOYSA-N 0 0 296.539 3.160 50 0 CGAARN Fc1ccccc1-c1nnc2sc(-c3ccncc3)nn21 ZINC000040286503 369153553 /nfs/dbraw/zinc/15/35/53/369153553.db2.gz 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368344919 /nfs/dbraw/zinc/34/49/19/368344919.db2.gz CIPKHKKYLFGDTD-UHFFFAOYSA-N 0 0 256.301 3.243 50 0 CGAARN Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C ZINC000000461970 368372205 /nfs/dbraw/zinc/37/22/05/368372205.db2.gz PTTDSJSLTCEKHX-UHFFFAOYSA-N 0 0 251.289 3.415 50 0 CGAARN Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)ccc12 ZINC000000348815 368345794 /nfs/dbraw/zinc/34/57/94/368345794.db2.gz JPNMSSAADBXSRO-UHFFFAOYSA-N 0 0 280.279 3.321 50 0 biogenic CGAARN O=C(NC(=S)NCCC1=CCCCC1)c1cccs1 ZINC000000358855 368347095 /nfs/dbraw/zinc/34/70/95/368347095.db2.gz CWWNYWYZTBPMIW-UHFFFAOYSA-N 0 0 294.445 3.243 50 0 CGAARN Cc1cccc(C)c1OCC(=O)NC1CCCCC1 ZINC000000362547 368348320 /nfs/dbraw/zinc/34/83/20/368348320.db2.gz NRTUQDPVYUPEGC-UHFFFAOYSA-N 0 0 261.365 3.131 50 0 CGAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(O)c2)cc1 ZINC000000364521 368349154 /nfs/dbraw/zinc/34/91/54/368349154.db2.gz HZEFHUKFEWZWAY-ZDUSSCGKSA-N 0 0 285.343 3.415 50 0 CGAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1O ZINC000000364369 368349183 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COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1 ZINC000002568914 368465305 /nfs/dbraw/zinc/46/53/05/368465305.db2.gz PUCPZDZHLAJZAX-UHFFFAOYSA-N 0 0 282.295 3.477 50 0 biogenic CGAARN O=C(OC[C@H]1CCCO1)c1ccccc1C(F)(F)F ZINC000003258385 368499352 /nfs/dbraw/zinc/49/93/52/368499352.db2.gz BXVCOVLJCYLWAW-SECBINFHSA-N 0 0 274.238 3.041 50 0 CGAARN CC1CCN(CC(=O)c2ccccc2Br)CC1 ZINC000003277468 368500715 /nfs/dbraw/zinc/50/07/15/368500715.db2.gz VNWQYMFVXVKVHJ-UHFFFAOYSA-N 0 0 296.208 3.364 50 0 CGAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000003292905 368500925 /nfs/dbraw/zinc/50/09/25/368500925.db2.gz NFJNQFKILZZSOM-UHFFFAOYSA-N 0 0 281.359 3.324 50 0 CGAARN O=S(=O)(NC1CCCCCCC1)c1ccccc1F ZINC000003324480 368501890 /nfs/dbraw/zinc/50/18/90/368501890.db2.gz AQZWUHCLIHPDCW-UHFFFAOYSA-N 0 0 285.384 3.217 50 0 CGAARN Cc1ccc(F)cc1NCC(=O)N1CCc2ccccc21 ZINC000003338677 368502480 /nfs/dbraw/zinc/50/24/80/368502480.db2.gz NNFKTZAXNACTIM-UHFFFAOYSA-N 0 0 284.334 3.135 50 0 CGAARN CC(=O)Nc1ccc(C(=O)OCCc2ccccc2)cc1 ZINC000003333057 368503248 /nfs/dbraw/zinc/50/32/48/368503248.db2.gz DLRJXOYSYPKXTE-UHFFFAOYSA-N 0 0 283.327 3.045 50 0 CGAARN CCCC[C@H](CC)CNS(=O)(=O)c1ccc(F)cc1 ZINC000002772229 368478509 /nfs/dbraw/zinc/47/85/09/368478509.db2.gz LVSVXJROALCKHA-LBPRGKRZSA-N 0 0 287.400 3.320 50 0 CGAARN Cc1ccc(C(=O)COC(=O)C=Cc2ccco2)cc1 ZINC000002784597 368478627 /nfs/dbraw/zinc/47/86/27/368478627.db2.gz IVCTVNLGHWMYSW-CMDGGOBGSA-N 0 0 270.284 3.027 50 0 CGAARN CCOCc1nnc(NC(=O)CCC2CCCCC2)s1 ZINC000002847002 368481281 /nfs/dbraw/zinc/48/12/81/368481281.db2.gz FFVBUTIYOWORIZ-UHFFFAOYSA-N 0 0 297.424 3.374 50 0 CGAARN COc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1 ZINC000002863248 368482620 /nfs/dbraw/zinc/48/26/20/368482620.db2.gz BNCMZXATMPAXEE-UHFFFAOYSA-N 0 0 299.370 3.121 50 0 CGAARN CC1CCC(NC(=O)c2cncc(Br)c2)CC1 ZINC000002879092 368484090 /nfs/dbraw/zinc/48/40/90/368484090.db2.gz SNMRBJMPVACSHE-UHFFFAOYSA-N 0 0 297.196 3.153 50 0 CGAARN CC[C@H](C)[C@@H]([NH2+]CCC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000002922217 368485168 /nfs/dbraw/zinc/48/51/68/368485168.db2.gz KMBGQVTXOBOFFZ-IINYFYTJSA-N 0 0 297.782 3.002 50 0 CGAARN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 ZINC000002902839 368486220 /nfs/dbraw/zinc/48/62/20/368486220.db2.gz PCZFHAFLPRKDSN-CMDGGOBGSA-N 0 0 285.299 3.108 50 0 CGAARN CC(=O)Nc1ccc(-c2cc(=O)c3ccccc3o2)cc1 ZINC000003098725 368490639 /nfs/dbraw/zinc/49/06/39/368490639.db2.gz PFVUPBVAFXEVCO-UHFFFAOYSA-N 0 0 279.295 3.418 50 0 CGAARN Brc1ccc(CNc2ccccn2)cc1 ZINC000003160660 368494513 /nfs/dbraw/zinc/49/45/13/368494513.db2.gz MBJGVIVWYUXRQP-UHFFFAOYSA-N 0 0 263.138 3.456 50 0 CGAARN Cc1cc(C)cc(NC(=O)CN2CCc3ccccc3C2)c1 ZINC000003233402 368497098 /nfs/dbraw/zinc/49/70/98/368497098.db2.gz IULBNVXXQDEHIA-UHFFFAOYSA-N 0 0 294.398 3.300 50 0 CGAARN O=C(CSc1ccccc1Cl)N1CCCC1 ZINC000003223130 368497323 /nfs/dbraw/zinc/49/73/23/368497323.db2.gz GPMRAUGGTKRGFA-UHFFFAOYSA-N 0 0 255.770 3.055 50 0 CGAARN CC(=O)c1sc(NC(=O)c2c(F)cccc2F)nc1C ZINC000003241608 368497419 /nfs/dbraw/zinc/49/74/19/368497419.db2.gz IENKBTMNUQSGIS-UHFFFAOYSA-N 0 0 296.298 3.185 50 0 CGAARN Cc1ccc(NC(=S)NC(=O)c2cccs2)cc1F ZINC000003225841 368497753 /nfs/dbraw/zinc/49/77/53/368497753.db2.gz PVXLOHILHCWTPH-UHFFFAOYSA-N 0 0 294.376 3.322 50 0 CGAARN COc1ccc(NC(=O)c2ccccc2N)cc1Cl ZINC000003886408 368522543 /nfs/dbraw/zinc/52/25/43/368522543.db2.gz KOJDDINGDKNIRH-UHFFFAOYSA-N 0 0 276.723 3.183 50 0 CGAARN CCCCc1ccc(NS(=O)(=O)CC(C)C)cc1 ZINC000003876582 368522634 /nfs/dbraw/zinc/52/26/34/368522634.db2.gz MKTSFAYPKFXRAG-UHFFFAOYSA-N 0 0 269.410 3.427 50 0 CGAARN Cc1ccc(O)c(NC(=O)c2cc(CC(C)C)on2)c1 ZINC000003909087 368524596 /nfs/dbraw/zinc/52/45/96/368524596.db2.gz YTFBJVMMJIFIBU-UHFFFAOYSA-N 0 0 274.320 3.139 50 0 CGAARN CCCOC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000003959099 368524609 /nfs/dbraw/zinc/52/46/09/368524609.db2.gz OVJROZBSCRSJQK-UHFFFAOYSA-N 0 0 297.376 3.372 50 0 aggregator CGAARN COC(=O)c1ccsc1NC(=S)Nc1ccccc1 ZINC000004052755 368528602 /nfs/dbraw/zinc/52/86/02/368528602.db2.gz HBTUUMPWKYAYRW-UHFFFAOYSA-N 0 0 292.385 3.344 50 0 CGAARN Cn1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000004085416 368529950 /nfs/dbraw/zinc/52/99/50/368529950.db2.gz MJWVVCBUPNDKNN-UHFFFAOYSA-N 0 0 297.141 3.153 50 0 CGAARN CSc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000004101657 368530817 /nfs/dbraw/zinc/53/08/17/368530817.db2.gz KTIVUSOUUVLKKW-GHMZBOCLSA-N 0 0 280.393 3.050 50 0 CGAARN COC(=O)c1scc(C)c1NC(=O)c1ccc(F)cc1 ZINC000004105320 368531389 /nfs/dbraw/zinc/53/13/89/368531389.db2.gz YLTMUHTZHPSGMO-UHFFFAOYSA-N 0 0 293.319 3.235 50 0 CGAARN Cc1ccc(CNC(=O)NCc2ccc(C)cc2)cc1 ZINC000003426284 368506789 /nfs/dbraw/zinc/50/67/89/368506789.db2.gz PIGLCWMTYZZFAO-UHFFFAOYSA-N 0 0 268.360 3.303 50 0 CGAARN Cc1ccc(NC(=O)NC[C@H]2CC2(Cl)Cl)cc1 ZINC000003423479 368507509 /nfs/dbraw/zinc/50/75/09/368507509.db2.gz BATICMFMIDKQDV-SECBINFHSA-N 0 0 273.163 3.310 50 0 CGAARN O=C(CCC(=O)c1cccs1)NCCc1ccccc1 ZINC000003429462 368507520 /nfs/dbraw/zinc/50/75/20/368507520.db2.gz SCNRDWVJTOXYIJ-UHFFFAOYSA-N 0 0 287.384 3.070 50 0 CGAARN CC[C@H](C)NC(=O)COc1cccc2ccccc21 ZINC000003447311 368508146 /nfs/dbraw/zinc/50/81/46/368508146.db2.gz QSEGRWQCQXXFSV-LBPRGKRZSA-N 0 0 257.333 3.133 50 0 CGAARN Cc1ccc(NC(=O)CN(C)c2ccccc2)cc1C ZINC000003491082 368509049 /nfs/dbraw/zinc/50/90/49/368509049.db2.gz RGZRADVNSHEJQZ-UHFFFAOYSA-N 0 0 268.360 3.378 50 0 CGAARN CCc1nc2ccccc2c(C(=O)O[C@H]2CCCC2=O)c1C ZINC000003561013 368513360 /nfs/dbraw/zinc/51/33/60/368513360.db2.gz VRJZQTIEIRFNKP-INIZCTEOSA-N 0 0 297.354 3.384 50 0 CGAARN COc1cc(C)ccc1OCC(=O)Nc1ccccc1F ZINC000003608757 368515369 /nfs/dbraw/zinc/51/53/69/368515369.db2.gz IZYFECJVVKWBAL-UHFFFAOYSA-N 0 0 289.306 3.160 50 0 CGAARN CC(=O)C(C(C)=O)C(c1ccc(C)o1)c1ccc(C)o1 ZINC000003846765 368521066 /nfs/dbraw/zinc/52/10/66/368521066.db2.gz UEKWRFLEFBZXBE-UHFFFAOYSA-N 0 0 274.316 3.416 50 0 CGAARN CC(=O)c1ccc(OCc2ccc(C)cc2)cc1O ZINC000003884076 368522208 /nfs/dbraw/zinc/52/22/08/368522208.db2.gz GVILIEKXUQXZHV-UHFFFAOYSA-N 0 0 256.301 3.482 50 0 CGAARN CN(C)c1ccc(C2=NN(C=O)[C@@H](c3ccccc3)C2)cc1 ZINC000003880439 368522302 /nfs/dbraw/zinc/52/23/02/368522302.db2.gz RDALNUTWYSRSDD-GOSISDBHSA-N 0 0 293.370 3.060 50 0 CGAARN Cc1nn(C)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004652509 368553927 /nfs/dbraw/zinc/55/39/27/368553927.db2.gz QNWLZNPDWFPMDP-UHFFFAOYSA-N 0 0 287.407 3.274 50 0 CGAARN CCCn1nnc(NCc2ccc(Cl)cc2Cl)n1 ZINC000004682091 368557225 /nfs/dbraw/zinc/55/72/25/368557225.db2.gz SWIVPVFRSBJNGY-UHFFFAOYSA-N 0 0 286.166 3.002 50 0 CGAARN Cc1cccc(Oc2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000004690724 368557330 /nfs/dbraw/zinc/55/73/30/368557330.db2.gz DWHBGJSVKONDJW-UHFFFAOYSA-N 0 0 281.311 3.441 50 0 CGAARN Cc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000004293564 368540887 /nfs/dbraw/zinc/54/08/87/368540887.db2.gz VFDVJMZURMPFOQ-XVMZJDAESA-N 0 0 287.384 3.129 50 0 CGAARN CCOc1ccccc1NCc1nnc2n1CCCCC2 ZINC000004303638 368542492 /nfs/dbraw/zinc/54/24/92/368542492.db2.gz QGQTXESMVYIPAK-UHFFFAOYSA-N 0 0 286.379 3.015 50 0 CGAARN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1C ZINC000004484404 368547609 /nfs/dbraw/zinc/54/76/09/368547609.db2.gz VPJCAIVHLPWMGB-DYVFJYSZSA-N 0 0 297.354 3.470 50 0 CGAARN COc1ccccc1O[C@H](C)C(=O)N1CCc2ccccc21 ZINC000004502763 368548658 /nfs/dbraw/zinc/54/86/58/368548658.db2.gz YBLAZQJUAFJXGR-CYBMUJFWSA-N 0 0 297.354 3.052 50 0 CGAARN O[C@H]1CCc2ccc(cc2)CCc2ccc(cc2)C1 ZINC000004530695 368549234 /nfs/dbraw/zinc/54/92/34/368549234.db2.gz KACDWIVWNBSLIX-SFHVURJKSA-N 0 0 252.357 3.321 50 0 CGAARN Cc1ccccc1NC(=O)c1ccc2c(c1)OCCCO2 ZINC000004540166 368549866 /nfs/dbraw/zinc/54/98/66/368549866.db2.gz VFBMQDJTNPOTTC-UHFFFAOYSA-N 0 0 283.327 3.409 50 0 CGAARN CC(NCc1ccccc1)=C1C(=O)ON=C1c1ccccc1 ZINC000006691216 368569350 /nfs/dbraw/zinc/56/93/50/368569350.db2.gz UKLJNTPUPZSDIF-SSZFMOIBSA-N 0 0 292.338 3.011 50 0 CGAARN CC[N@@H+]1CCc2c(sc3[n-]c(=S)[nH]c(=S)c23)C1 ZINC000006783686 368569453 /nfs/dbraw/zinc/56/94/53/368569453.db2.gz FUPYBTPPRHUERR-UHFFFAOYSA-N 0 0 283.447 3.021 50 0 CGAARN Cc1ccc2c(c1)N(C(=O)NC1CCCC1)C[C@H](C)O2 ZINC000006842832 368570124 /nfs/dbraw/zinc/57/01/24/368570124.db2.gz ROOOGIYMGGYWIR-LBPRGKRZSA-N 0 0 274.364 3.235 50 0 CGAARN COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC000007680153 368572441 /nfs/dbraw/zinc/57/24/41/368572441.db2.gz DOYZXTJSDUKHHK-UHFFFAOYSA-N 0 0 290.319 3.321 50 0 CGAARN CC(=O)c1ccc(NC(=O)C[C@H](C)n2nc(C)cc2C)cc1 ZINC000008714438 368573467 /nfs/dbraw/zinc/57/34/67/368573467.db2.gz IRJWTPOACYJZOX-ZDUSSCGKSA-N 0 0 299.374 3.292 50 0 CGAARN O=C(/C=C/c1ccccc1)Nc1onc2c1CCCC2 ZINC000008976550 368575198 /nfs/dbraw/zinc/57/51/98/368575198.db2.gz GXGQDZZKEGJMQD-ZHACJKMWSA-N 0 0 268.316 3.205 50 0 CGAARN CCCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009607378 368577122 /nfs/dbraw/zinc/57/71/22/368577122.db2.gz PIZQDSURIDAVHA-UHFFFAOYSA-N 0 0 290.344 3.277 50 0 CGAARN Cc1ccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)cc1 ZINC000010273301 368578575 /nfs/dbraw/zinc/57/85/75/368578575.db2.gz CPJWGWONYURHRE-UHFFFAOYSA-N 0 0 266.304 3.313 50 0 CGAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)c(Br)c1 ZINC000010218889 368578658 /nfs/dbraw/zinc/57/86/58/368578658.db2.gz CFEMBOBMYHFGBT-BDAKNGLRSA-N 0 0 268.154 3.352 50 0 CGAARN O=C(COC(=O)C1CCCCC1)c1c[nH]c2ccccc12 ZINC000010627102 368585136 /nfs/dbraw/zinc/58/51/36/368585136.db2.gz JHWUAOPEEBMVID-UHFFFAOYSA-N 0 0 285.343 3.474 50 0 CGAARN Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000010641810 368585320 /nfs/dbraw/zinc/58/53/20/368585320.db2.gz QKOFHAGXWLPMGB-CYBMUJFWSA-N 0 0 280.327 3.060 50 0 CGAARN Cc1nc2cc(NC(=O)c3cc(F)cc(F)c3)ccc2[nH]1 ZINC000010895679 368587765 /nfs/dbraw/zinc/58/77/65/368587765.db2.gz JNLSIFFUYQZCJJ-UHFFFAOYSA-N 0 0 287.269 3.402 50 0 CGAARN CC(C)Cc1nnc2sc(-c3ccc(F)cc3)nn12 ZINC000011278527 368590550 /nfs/dbraw/zinc/59/05/50/368590550.db2.gz MWGYYAGSMUNMLV-UHFFFAOYSA-N 0 0 276.340 3.190 50 0 CGAARN Cc1cccc(-c2nnc(NC(=O)c3ccccc3)o2)c1 ZINC000011613308 368593154 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C[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000003409745 277687518 /nfs/dbraw/zinc/68/75/18/277687518.db2.gz RMHUZQIONAHTNT-DGCLKSJQSA-N 0 0 285.343 3.102 50 0 CGAARN C[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000012538646 277694305 /nfs/dbraw/zinc/69/43/05/277694305.db2.gz ZECAASWTSUSBRF-GFCCVEGCSA-N 0 0 256.349 3.050 50 0 CGAARN COc1ccc(-c2nnc(-c3ccc(C=O)cc3)o2)cc1 ZINC000000501342 277862695 /nfs/dbraw/zinc/86/26/95/277862695.db2.gz XXWJXUSDRPLLLH-UHFFFAOYSA-N 0 0 280.283 3.225 50 0 CGAARN COc1cccc(/C=C2\C(=O)Nc3ccccc32)c1 ZINC000033329143 278007067 /nfs/dbraw/zinc/00/70/67/278007067.db2.gz MHRZFGCBDUQDNL-UVTDQMKNSA-N 0 0 251.285 3.188 50 0 CGAARN C[C@@H]1Cc2ccccc2N1C(=S)Nc1cccnc1 ZINC000000118943 278041811 /nfs/dbraw/zinc/04/18/11/278041811.db2.gz UTOJXXQYAWJSKY-LLVKDONJSA-N 0 0 269.373 3.230 50 0 CGAARN C[C@@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000000030129 288011101 /nfs/dbraw/zinc/01/11/01/288011101.db2.gz WHOHJKJPXNFEPL-RKDXNWHRSA-N 0 0 288.174 3.243 50 0 CGAARN 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256.305 3.041 50 0 CGAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000002638758 368471243 /nfs/dbraw/zinc/47/12/43/368471243.db2.gz ZHPISVMBQSJHDF-UHFFFAOYSA-N 0 0 295.342 3.012 50 0 CGAARN Cc1c(C=O)c2ccccn2c1C(=O)c1cccs1 ZINC000002657404 368472168 /nfs/dbraw/zinc/47/21/68/368472168.db2.gz NKVXBYYGVBAWID-UHFFFAOYSA-N 0 0 269.325 3.353 50 0 CGAARN Cc1ccccc1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000002659603 368472907 /nfs/dbraw/zinc/47/29/07/368472907.db2.gz BNZSRSXOYIMREX-UHFFFAOYSA-N 0 0 299.761 3.226 50 0 CGAARN Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1C ZINC000002747143 368474922 /nfs/dbraw/zinc/47/49/22/368474922.db2.gz IHEMMMHNVQJENR-UHFFFAOYSA-N 0 0 257.308 3.373 50 0 CGAARN CCCOc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000002755583 368475246 /nfs/dbraw/zinc/47/52/46/368475246.db2.gz KHDFXGFRQNJVMG-UHFFFAOYSA-N 0 0 261.365 3.348 50 0 CGAARN O=C(NCc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000002749801 368475492 /nfs/dbraw/zinc/47/54/92/368475492.db2.gz AFUNYSZTEXFEJW-JKSUJKDBSA-N 0 0 269.319 3.246 50 0 CGAARN CC[C@@H](C)C(=O)NCCc1c[nH]c2ccc(C)cc12 ZINC000002357250 368451767 /nfs/dbraw/zinc/45/17/67/368451767.db2.gz XSOWTFPHUMTKNZ-GFCCVEGCSA-N 0 0 258.365 3.181 50 0 CGAARN CCCCCN1c2ccc(Br)cc2C(=O)C1=O ZINC000002486160 368455409 /nfs/dbraw/zinc/45/54/09/368455409.db2.gz PPDXMHQQBLFQEN-UHFFFAOYSA-N 0 0 296.164 3.169 50 0 CGAARN Cc1nc2ccccc2n1CCOc1ccccc1 ZINC000002475959 368456193 /nfs/dbraw/zinc/45/61/93/368456193.db2.gz VVTVADLSZISYBN-UHFFFAOYSA-N 0 0 252.317 3.424 50 0 CGAARN O=C(c1ccccc1)c1cccc(CN2CCC2)c1 ZINC000002515100 368458649 /nfs/dbraw/zinc/45/86/49/368458649.db2.gz ZEBXYFDLWPDUCZ-UHFFFAOYSA-N 0 0 251.329 3.123 50 0 CGAARN O=C(c1cccc(F)c1)c1ccccc1CN1CCC1 ZINC000002515613 368459336 /nfs/dbraw/zinc/45/93/36/368459336.db2.gz FDVQMVKDIMUHGY-UHFFFAOYSA-N 0 0 269.319 3.262 50 0 CGAARN O=Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC000002528422 368459982 /nfs/dbraw/zinc/45/99/82/368459982.db2.gz ALIVUZVZCLVJQN-UHFFFAOYSA-N 0 0 269.016 3.160 50 0 CGAARN O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC000002527551 368460088 /nfs/dbraw/zinc/46/00/88/368460088.db2.gz NEKWUGFVJNIXIK-UHFFFAOYSA-N 0 0 267.206 3.460 50 0 CGAARN Cc1ccoc1C(=O)NC(=S)Nc1ccc(Cl)cc1 ZINC000002532419 368461244 /nfs/dbraw/zinc/46/12/44/368461244.db2.gz SPPIVJQNUMAIOG-UHFFFAOYSA-N 0 0 294.763 3.368 50 0 CGAARN Cc1ccccc1NC(=O)N1CCN(c2ccccc2)CC1 ZINC000002532778 368461563 /nfs/dbraw/zinc/46/15/63/368461563.db2.gz HQRSHCKLBGFOOE-UHFFFAOYSA-N 0 0 295.386 3.349 50 0 CGAARN COc1ccc(NC(=O)CCc2ccccc2Cl)cn1 ZINC000002543574 368463243 /nfs/dbraw/zinc/46/32/43/368463243.db2.gz VXSUUMOGNLYZSG-UHFFFAOYSA-N 0 0 290.750 3.315 50 0 CGAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2nccs2)o1 ZINC000002552545 368463607 /nfs/dbraw/zinc/46/36/07/368463607.db2.gz XVNHVELOIJRTPV-KOLCDFICSA-N 0 0 276.361 3.431 50 0 CGAARN O=Cc1ccc(-c2cccc(Br)n2)cc1 ZINC000002563842 368464729 /nfs/dbraw/zinc/46/47/29/368464729.db2.gz QQZYUWKHZMRZRI-UHFFFAOYSA-N 0 0 262.106 3.324 50 0 CGAARN CC(C)c1ccc(-c2csc(N)c2C(N)=O)cc1 ZINC000002584885 368467755 /nfs/dbraw/zinc/46/77/55/368467755.db2.gz ZYCGGGCHMIISLO-UHFFFAOYSA-N 0 0 260.362 3.220 50 0 CGAARN Cc1nn(-c2cc(C)cc(C)c2)c(N)c1Br ZINC000003300107 368501420 /nfs/dbraw/zinc/50/14/20/368501420.db2.gz AFDNSXLLALOQBQ-UHFFFAOYSA-N 0 0 280.169 3.142 50 0 CGAARN CC(C)(C)OC(=O)CSc1nc2ccccc2o1 ZINC000003326715 368502978 /nfs/dbraw/zinc/50/29/78/368502978.db2.gz XVLWHCCQXSTLRP-UHFFFAOYSA-N 0 0 265.334 3.262 50 0 CGAARN Cc1cc2oc(=O)cc(CSc3ncccn3)c2cc1C ZINC000003332505 368503066 /nfs/dbraw/zinc/50/30/66/368503066.db2.gz KIXNWJJWISHFGV-UHFFFAOYSA-N 0 0 298.367 3.492 50 0 CGAARN CN(C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003346913 368503734 /nfs/dbraw/zinc/50/37/34/368503734.db2.gz RDQARNWXSFFDGD-UHFFFAOYSA-N 0 0 281.570 3.147 50 0 CGAARN O=C(CSc1ccc2ccccc2c1)NC1CC1 ZINC000003355136 368503819 /nfs/dbraw/zinc/50/38/19/368503819.db2.gz WICGTQGDLGXLRB-UHFFFAOYSA-N 0 0 257.358 3.211 50 0 CGAARN COC(=O)CSc1nccc(-c2ccc(Cl)cc2)n1 ZINC000002806314 368479746 /nfs/dbraw/zinc/47/97/46/368479746.db2.gz 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297.251 3.216 50 0 CGAARN C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000016626028 368718536 /nfs/dbraw/zinc/71/85/36/368718536.db2.gz SGZVSUOZIULPEM-SNVBAGLBSA-N 0 0 261.271 3.456 50 0 CGAARN O=c1[nH]c(Nc2cccc3cccnc32)nc2ccccc21 ZINC000016676136 368720031 /nfs/dbraw/zinc/72/00/31/368720031.db2.gz FCBIQJOGLJPWPF-UHFFFAOYSA-N 0 0 288.310 3.215 50 0 CGAARN Cc1cnc(NC(=O)c2snc3ccccc32)s1 ZINC000017007439 368724665 /nfs/dbraw/zinc/72/46/65/368724665.db2.gz SFDNKAYDPRIEFN-UHFFFAOYSA-N 0 0 275.358 3.314 50 0 CGAARN CCCCOc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000013894889 368669557 /nfs/dbraw/zinc/66/95/57/368669557.db2.gz AFCIKPDGHNLMNQ-XFXZXTDPSA-N 0 0 277.345 3.189 50 0 CGAARN O=C(NC1CCCCC1)c1ccc(N2CCCC2)cc1 ZINC000013943511 368670729 /nfs/dbraw/zinc/67/07/29/368670729.db2.gz CMXAJZRDFGZGRG-UHFFFAOYSA-N 0 0 272.392 3.349 50 0 CGAARN NC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014208409 368678437 /nfs/dbraw/zinc/67/84/37/368678437.db2.gz WCHZLUBATHPJGX-UHFFFAOYSA-N 0 0 289.722 3.083 50 0 CGAARN Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1C ZINC000014244797 368679310 /nfs/dbraw/zinc/67/93/10/368679310.db2.gz DAKRERSBCCMDFL-UHFFFAOYSA-N 0 0 297.326 3.382 50 0 CGAARN COc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000014247403 368679835 /nfs/dbraw/zinc/67/98/35/368679835.db2.gz ZRYQJPCQXVJRLV-UHFFFAOYSA-N 0 0 293.326 3.133 50 0 CGAARN COC(=O)c1cccc(Oc2cc(C)ccc2N)c1 ZINC000014629755 368682667 /nfs/dbraw/zinc/68/26/67/368682667.db2.gz QIVFSFKWRIHJAI-UHFFFAOYSA-N 0 0 257.289 3.156 50 0 CGAARN CCOc1c(C[C@@H]2c3ccccc3NC2=O)cccc1OC ZINC000015017168 368688776 /nfs/dbraw/zinc/68/87/76/368688776.db2.gz PDXOVKVWSZYTIG-CQSZACIVSA-N 0 0 297.354 3.372 50 0 CGAARN COc1ccccc1[C@H](C)NC(=O)c1cccc(N(C)C)c1 ZINC000017970689 368736073 /nfs/dbraw/zinc/73/60/73/368736073.db2.gz ZELFFOMPELDOCM-ZDUSSCGKSA-N 0 0 298.386 3.252 50 0 CGAARN CCCSc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000017946002 368736508 /nfs/dbraw/zinc/73/65/08/368736508.db2.gz KFUKKGWJHVZXQV-BETUJISGSA-N 0 0 293.432 3.438 50 0 CGAARN CCC[C@@H]1Cc2c(sc3[nH]c(=S)nc(N)c23)CO1 ZINC000018031017 368737418 /nfs/dbraw/zinc/73/74/18/368737418.db2.gz NTYFOQUQWBXFTE-ZCFIWIBFSA-N 0 0 281.406 3.177 50 0 CGAARN CC[C@@H](C)C[C@]1(CC)NC(=S)N(c2ccccc2)N1 ZINC000018106884 368739172 /nfs/dbraw/zinc/73/91/72/368739172.db2.gz SVEVPURJAHJBPO-IUODEOHRSA-N 0 0 277.437 3.428 50 0 CGAARN Cc1cccc(OCCNC(=O)Nc2ccccc2)c1 ZINC000018173906 368740650 /nfs/dbraw/zinc/74/06/50/368740650.db2.gz MAOUTITVOBAXNB-UHFFFAOYSA-N 0 0 270.332 3.196 50 0 CGAARN COc1ccccc1NC(=O)N(C)Cc1ccc(F)cc1 ZINC000018174388 368740793 /nfs/dbraw/zinc/74/07/93/368740793.db2.gz BPXYYROTRKOFGW-UHFFFAOYSA-N 0 0 288.322 3.498 50 0 CGAARN NC(=O)c1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000018198679 368741351 /nfs/dbraw/zinc/74/13/51/368741351.db2.gz FUCFWSJXMRZOTJ-UHFFFAOYSA-N 0 0 289.722 3.083 50 0 CGAARN Cc1ccc2ccccc2c1CSc1nc(N)cc(=O)[nH]1 ZINC000018203384 368742138 /nfs/dbraw/zinc/74/21/38/368742138.db2.gz NDBITLCPDQXODL-UHFFFAOYSA-N 0 0 297.383 3.106 50 0 biogenic,in-vitro CGAARN O=C(/C=C/c1ccco1)Nc1cnc(-c2ccccc2)nc1 ZINC000017524250 368733217 /nfs/dbraw/zinc/73/32/17/368733217.db2.gz GZVWODUZQKBIDC-CMDGGOBGSA-N 0 0 291.310 3.389 50 0 CGAARN Nc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000019675383 368760438 /nfs/dbraw/zinc/76/04/38/368760438.db2.gz LEXCDQLJUIFYHC-UHFFFAOYSA-N 0 0 296.248 3.420 50 0 CGAARN Cc1cc(C)c(OCCCN2CCOCC2)c(Cl)c1 ZINC000019770622 368764742 /nfs/dbraw/zinc/76/47/42/368764742.db2.gz ZKIKVXXHZFRTCU-UHFFFAOYSA-N 0 0 283.799 3.058 50 0 CGAARN Cn1ccnc1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000019114008 368744193 /nfs/dbraw/zinc/74/41/93/368744193.db2.gz GFTQRJMCSMUFRV-UHFFFAOYSA-N 0 0 287.382 3.014 50 0 CGAARN O=C(c1cccc2cccnc21)N1CCc2ccccc2C1 ZINC000019169756 368745541 /nfs/dbraw/zinc/74/55/41/368745541.db2.gz FHMQBLPMAXGYCI-UHFFFAOYSA-N 0 0 288.350 3.433 50 0 CGAARN Cc1c(N)cccc1NC(=O)COc1ccccc1Cl ZINC000019257875 368745865 /nfs/dbraw/zinc/74/58/65/368745865.db2.gz BAUKIDOFUAFZDI-UHFFFAOYSA-N 0 0 290.750 3.248 50 0 CGAARN Cc1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000019169162 368745919 /nfs/dbraw/zinc/74/59/19/368745919.db2.gz GMXBQFGMKIVXTI-UHFFFAOYSA-N 0 0 283.327 3.409 50 0 CGAARN CCc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1 ZINC000019324157 368747874 /nfs/dbraw/zinc/74/78/74/368747874.db2.gz LETPVSSISSFRMH-UHFFFAOYSA-N 0 0 270.420 3.295 50 0 CGAARN O=C(Nc1cccc2c1NCCC2)NC1CCCCC1 ZINC000019385491 368749680 /nfs/dbraw/zinc/74/96/80/368749680.db2.gz JXPGGTZSLHZYIH-UHFFFAOYSA-N 0 0 273.380 3.499 50 0 CGAARN CCOC(=O)c1c(C)nc(-c2cccc(C)c2)[nH]c1=S ZINC000020100181 368802254 /nfs/dbraw/zinc/80/22/54/368802254.db2.gz JZUCNJIGUUPIMN-UHFFFAOYSA-N 0 0 288.372 3.226 50 0 CGAARN c1[nH]c2ccccc2c1[C@H]1SC=C2Sc3nncn3N21 ZINC000020715068 368807992 /nfs/dbraw/zinc/80/79/92/368807992.db2.gz XQRURGUHBRGERO-GFCCVEGCSA-N 0 0 299.384 3.048 50 0 CGAARN OC[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000023114925 368815743 /nfs/dbraw/zinc/81/57/43/368815743.db2.gz DSMFHKZBPHLJGD-LLVKDONJSA-N 0 0 274.191 3.198 50 0 CGAARN COCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000023120528 368817313 /nfs/dbraw/zinc/81/73/13/368817313.db2.gz BZBDRSUFPDVJRT-UHFFFAOYSA-N 0 0 298.342 3.044 50 0 CGAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)C)cc2)o1 ZINC000023305580 368820084 /nfs/dbraw/zinc/82/00/84/368820084.db2.gz DELUWHDRHZRLTM-GFCCVEGCSA-N 0 0 272.348 3.145 50 0 CGAARN Cc1ccc(-c2c[nH]c([C@H]3CC(=O)N(C(C)C)C3)n2)s1 ZINC000023429484 368822071 /nfs/dbraw/zinc/82/20/71/368822071.db2.gz KVDQPGRLLHLGBN-NSHDSACASA-N 0 0 289.404 3.171 50 0 CGAARN O=C(NCCc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000023623234 368823508 /nfs/dbraw/zinc/82/35/08/368823508.db2.gz XDIZXEDRDUNYBV-UHFFFAOYSA-N 0 0 273.376 3.155 50 0 CGAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1cccs1 ZINC000023674970 368823686 /nfs/dbraw/zinc/82/36/86/368823686.db2.gz PKSKFTNECPDZNB-NSHDSACASA-N 0 0 299.399 3.178 50 0 CGAARN Cc1cccc(-c2nn(-c3ccccc3)cc2CO)c1 ZINC000024013709 368826120 /nfs/dbraw/zinc/82/61/20/368826120.db2.gz WQDRNRZTUGXBME-UHFFFAOYSA-N 0 0 264.328 3.340 50 0 CGAARN C[C@H](NC(=O)Cc1cccs1)c1ccc(F)cc1F ZINC000024006431 368826577 /nfs/dbraw/zinc/82/65/77/368826577.db2.gz MEDFNNVZUCEBHM-VIFPVBQESA-N 0 0 281.327 3.446 50 0 CGAARN O=C(Cc1csc(-c2ccco2)n1)NC1CCCCC1 ZINC000024244052 368829971 /nfs/dbraw/zinc/82/99/71/368829971.db2.gz BZCOGDYANUIWJW-UHFFFAOYSA-N 0 0 290.388 3.395 50 0 CGAARN Cc1cccc(NC(=O)NC[C@@H]2COc3ccccc3C2)c1 ZINC000024365358 368830290 /nfs/dbraw/zinc/83/02/90/368830290.db2.gz DARLPXRCLAOOTN-CQSZACIVSA-N 0 0 296.370 3.368 50 0 CGAARN Cc1occc1C(=O)NCCCOc1cccc(C)c1 ZINC000024240507 368830849 /nfs/dbraw/zinc/83/08/49/368830849.db2.gz FNWVWSMLNNBOKK-UHFFFAOYSA-N 0 0 273.332 3.095 50 0 CGAARN CC[C@@H](C)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000024537142 368831392 /nfs/dbraw/zinc/83/13/92/368831392.db2.gz IOQPAVVJNCHQJI-SECBINFHSA-N 0 0 262.328 3.073 50 0 CGAARN Cn1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cn1 ZINC000024585292 368832535 /nfs/dbraw/zinc/83/25/35/368832535.db2.gz XAOFGVQSVVOUDT-UHFFFAOYSA-N 0 0 285.278 3.072 50 0 CGAARN CCc1sc(C(=O)NCCc2ccco2)cc1C ZINC000024586914 368832750 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ZINC000027493407 368871542 /nfs/dbraw/zinc/87/15/42/368871542.db2.gz JARBWUAGNTZXKK-UHFFFAOYSA-N 0 0 298.317 3.427 50 0 CGAARN COc1ccc([C@H]2CCCN2C(=O)c2cccnc2)cc1 ZINC000027383609 368871608 /nfs/dbraw/zinc/87/16/08/368871608.db2.gz RQFRWEXVTNIFRU-MRXNPFEDSA-N 0 0 282.343 3.068 50 0 CGAARN CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000028643742 368887972 /nfs/dbraw/zinc/88/79/72/368887972.db2.gz HPQUFHGGTUDLAA-OAHLLOKOSA-N 0 0 282.343 3.025 50 0 CGAARN Cc1c(C(=O)Nc2nccs2)cnn1-c1cccc(C)c1 ZINC000029460634 368895483 /nfs/dbraw/zinc/89/54/83/368895483.db2.gz ZSOHPPHOFNZCRU-UHFFFAOYSA-N 0 0 298.371 3.198 50 0 CGAARN Cc1cc(C)n(CCC(=O)N(C)[C@H]2CCc3ccccc32)n1 ZINC000029648423 368898385 /nfs/dbraw/zinc/89/83/85/368898385.db2.gz HAUSOKLREPHQJO-KRWDZBQOSA-N 0 0 297.402 3.036 50 0 CGAARN Cc1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)no1 ZINC000030525199 368903650 /nfs/dbraw/zinc/90/36/50/368903650.db2.gz LHPAEGMKBZBDGR-SECBINFHSA-N 0 0 298.264 3.493 50 0 CGAARN CC(C)(Br)C(=O)Nc1cc(Cl)ccc1O ZINC000030714989 368905508 /nfs/dbraw/zinc/90/55/08/368905508.db2.gz NAQCIAHQQWNVRY-UHFFFAOYSA-N 0 0 292.560 3.158 50 0 CGAARN CN(C)c1ncccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000031674653 368916249 /nfs/dbraw/zinc/91/62/49/368916249.db2.gz YVGXDRWZDOWQGR-UHFFFAOYSA-N 0 0 293.729 3.192 50 0 CGAARN C[C@@H]1CN(C(=O)c2occc2-c2ccccc2)C[C@@H](C)O1 ZINC000025464436 368847599 /nfs/dbraw/zinc/84/75/99/368847599.db2.gz FHQXAKUXQWFEHL-CHWSQXEVSA-N 0 0 285.343 3.196 50 0 CGAARN O=C(Nn1cnc2ccccc21)C1(c2ccccc2)CCC1 ZINC000025586973 368848640 /nfs/dbraw/zinc/84/86/40/368848640.db2.gz OJBYBXJRCFYBSE-UHFFFAOYSA-N 0 0 291.354 3.228 50 0 CGAARN O=C(Nc1cccnc1)N1CCC(c2ccccc2)CC1 ZINC000025532729 368849015 /nfs/dbraw/zinc/84/90/15/368849015.db2.gz LWWRHPWHHJYZMT-UHFFFAOYSA-N 0 0 281.359 3.493 50 0 CGAARN Cc1ccsc1CNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000025717956 368852010 /nfs/dbraw/zinc/85/20/10/368852010.db2.gz NSAXXGKQJANTNA-SNVBAGLBSA-N 0 0 278.204 3.257 50 0 CGAARN COc1ccccc1C(=O)Nc1cc(C)cc(F)c1 ZINC000034017920 368971089 /nfs/dbraw/zinc/97/10/89/368971089.db2.gz BNYAQJJTAXLDCB-UHFFFAOYSA-N 0 0 259.280 3.395 50 0 CGAARN CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1 ZINC000033985690 368971132 /nfs/dbraw/zinc/97/11/32/368971132.db2.gz MWKVXOJATACCCH-UHFFFAOYSA-N 0 0 295.338 3.270 50 0 in-vitro CGAARN C[C@@H](Sc1nc(N)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000034051458 368971151 /nfs/dbraw/zinc/97/11/51/368971151.db2.gz QZDUXWDNIUEURS-ZCFIWIBFSA-N 0 0 288.298 3.259 50 0 CGAARN CCOC(=O)CSc1ccc(Br)cc1 ZINC000034460545 368974204 /nfs/dbraw/zinc/97/42/04/368974204.db2.gz FLICFIAXFYYALP-UHFFFAOYSA-N 0 0 275.167 3.104 50 0 CGAARN CCCOc1ccccc1-c1nc(C(=O)NCC)cs1 ZINC000034714410 368977630 /nfs/dbraw/zinc/97/76/30/368977630.db2.gz PPIJQRCGPHCJIV-UHFFFAOYSA-N 0 0 290.388 3.349 50 0 CGAARN COc1ccc(-c2n[nH]c(C)c2NC(=O)C(C)(C)C)cc1 ZINC000034796819 368978324 /nfs/dbraw/zinc/97/83/24/368978324.db2.gz HOAZXXJHPDUHFG-UHFFFAOYSA-N 0 0 287.363 3.378 50 0 CGAARN CCc1cc(NC(=O)c2ccoc2)nn1-c1ccccc1 ZINC000034907329 368979551 /nfs/dbraw/zinc/97/95/51/368979551.db2.gz CELQAAAHGKLBOG-UHFFFAOYSA-N 0 0 281.315 3.280 50 0 CGAARN COc1cccc2cc([C@H](C)NC(=O)[C@H]3C[C@H]3C)oc21 ZINC000034862953 368979605 /nfs/dbraw/zinc/97/96/05/368979605.db2.gz HYTLAFNXFBLRKS-SCVCMEIPSA-N 0 0 273.332 3.275 50 0 CGAARN CSc1ccc([C@H](C)NC(=O)c2cc(C)no2)cc1 ZINC000031693058 368917642 /nfs/dbraw/zinc/91/76/42/368917642.db2.gz PXBXPTLVHYEZGF-JTQLQIEISA-N 0 0 276.361 3.196 50 0 CGAARN CC(C)c1ccc(-c2nnn([C@@H]3CCCCC3=O)n2)cc1 ZINC000031713190 368917776 /nfs/dbraw/zinc/91/77/76/368917776.db2.gz AHFGBIQSMIBVJB-CQSZACIVSA-N 0 0 284.363 3.148 50 0 CGAARN O=C(CC[C@H]1CCCO1)Nc1cccc(Cl)c1F ZINC000031879173 368921399 /nfs/dbraw/zinc/92/13/99/368921399.db2.gz QGOBSTCRKMWSEH-SECBINFHSA-N 0 0 271.719 3.377 50 0 CGAARN O=C(C1CC1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032071337 368923872 /nfs/dbraw/zinc/92/38/72/368923872.db2.gz QOWAMTIYQRMMOT-UHFFFAOYSA-N 0 0 254.333 3.069 50 0 CGAARN Cc1noc(C)c1C(=O)N1CCC(c2ccccc2)CC1 ZINC000032366653 368930286 /nfs/dbraw/zinc/93/02/86/368930286.db2.gz QVFNZNPRYPWTFE-UHFFFAOYSA-N 0 0 284.359 3.311 50 0 CGAARN Cc1ccc(F)c(S(=O)(=O)N(C)Cc2ccsc2)c1 ZINC000032406878 368931627 /nfs/dbraw/zinc/93/16/27/368931627.db2.gz ZUBPOQYMFBNZAE-UHFFFAOYSA-N 0 0 299.392 3.016 50 0 CGAARN CC(C)c1nc(CC(=O)NCc2cccs2)cs1 ZINC000032487074 368933109 /nfs/dbraw/zinc/93/31/09/368933109.db2.gz JACWWAUFJZNODG-UHFFFAOYSA-N 0 0 280.418 3.187 50 0 CGAARN Cc1cc(C)n(CCCC(=O)Nc2ccc(C)cc2)n1 ZINC000032498221 368933205 /nfs/dbraw/zinc/93/32/05/368933205.db2.gz WJAFFDAZFGKCHT-UHFFFAOYSA-N 0 0 271.364 3.227 50 0 CGAARN c1ccc2c(c1)-c1nnc([C@H]3CCOC3)n1-c1ccccc1-2 ZINC000032513766 368934504 /nfs/dbraw/zinc/93/45/04/368934504.db2.gz UOEXVSBSYYWULA-LBPRGKRZSA-N 0 0 289.338 3.419 50 0 CGAARN CC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000032564217 368936047 /nfs/dbraw/zinc/93/60/47/368936047.db2.gz MNPFJSWCVOEZGI-UHFFFAOYSA-N 0 0 269.747 3.280 50 0 CGAARN c1nc2ncnc(N3CCC[C@H](c4ccccc4)CC3)c2[nH]1 ZINC000032592902 368937113 /nfs/dbraw/zinc/93/71/13/368937113.db2.gz DMABRQYKVWPUGH-AWEZNQCLSA-N 0 0 293.374 3.127 50 0 CGAARN CC(C)N(C(=O)c1ccccc1-c1ncccn1)C(C)C ZINC000032587265 368937637 /nfs/dbraw/zinc/93/76/37/368937637.db2.gz CEZCTZYTQANJMX-UHFFFAOYSA-N 0 0 283.375 3.403 50 0 CGAARN CC(C)c1noc(CCC(=O)Nc2ccc(F)cc2F)n1 ZINC000032652336 368939920 /nfs/dbraw/zinc/93/99/20/368939920.db2.gz CXQRFJMKAFEZNV-UHFFFAOYSA-N 0 0 295.289 3.043 50 0 CGAARN C[C@@H](NC(=O)c1cnc2ccccc2c1O)c1cccs1 ZINC000032699313 368941757 /nfs/dbraw/zinc/94/17/57/368941757.db2.gz OOAFBGJPBSHTGG-SNVBAGLBSA-N 0 0 298.367 3.081 50 0 CGAARN Cc1ccc(CN(C)C(=O)c2cc(Cl)ccn2)cc1 ZINC000032727693 368942852 /nfs/dbraw/zinc/94/28/52/368942852.db2.gz BAIQKPXRBXWPKF-UHFFFAOYSA-N 0 0 274.751 3.316 50 0 CGAARN COc1ccc(C)cc1CSc1nnc(C)s1 ZINC000032739549 368942863 /nfs/dbraw/zinc/94/28/63/368942863.db2.gz KSZURKHXTVUZGY-UHFFFAOYSA-N 0 0 266.391 3.456 50 0 CGAARN O=C(CCc1ccsc1)Nc1cccc(-c2nnco2)c1 ZINC000032777355 368943875 /nfs/dbraw/zinc/94/38/75/368943875.db2.gz NRKDZOYQCLMWLL-UHFFFAOYSA-N 0 0 299.355 3.369 50 0 CGAARN CCONC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000032759982 368944023 /nfs/dbraw/zinc/94/40/23/368944023.db2.gz PYRAFOIASUVWBE-UHFFFAOYSA-N 0 0 254.289 3.002 50 0 CGAARN CCCc1ccc([C@@H](NC(=O)c2cnn(C)c2)C(C)C)cc1 ZINC000032768921 368944122 /nfs/dbraw/zinc/94/41/22/368944122.db2.gz GWUPOEGKONUJPG-KRWDZBQOSA-N 0 0 299.418 3.500 50 0 CGAARN CC[C@H](C)NC(=O)c1ccc(Cl)c2cccnc12 ZINC000032809252 368945218 /nfs/dbraw/zinc/94/52/18/368945218.db2.gz WRNPDRXVQNBZDP-VIFPVBQESA-N 0 0 262.740 3.417 50 0 CGAARN CC(C)(C)c1nnc(SCc2noc(C(C)(C)C)n2)[nH]1 ZINC000032778957 368945950 /nfs/dbraw/zinc/94/59/50/368945950.db2.gz ALETZYMAKSOQEY-UHFFFAOYSA-N 0 0 295.412 3.075 50 0 CGAARN O=C(CCCc1nc2ccccc2[nH]1)NC1CCCCC1 ZINC000032827517 368946796 /nfs/dbraw/zinc/94/67/96/368946796.db2.gz XHOHTXJWFXDJCQ-UHFFFAOYSA-N 0 0 285.391 3.335 50 0 CGAARN O=C(CC[C@@H]1CCCO1)Nc1cccc(Br)c1 ZINC000032815631 368946819 /nfs/dbraw/zinc/94/68/19/368946819.db2.gz NIYOPTYHKVIOIN-LBPRGKRZSA-N 0 0 298.180 3.347 50 0 CGAARN O=C(CCc1ccco1)N1CCC[C@H]2CCCC[C@H]21 ZINC000032819448 368947196 /nfs/dbraw/zinc/94/71/96/368947196.db2.gz GCYZTSGRZASVOQ-UKRRQHHQSA-N 0 0 261.365 3.393 50 0 CGAARN Cc1nc2ccccc2nc1COC(=O)c1cccs1 ZINC000032838674 368947482 /nfs/dbraw/zinc/94/74/82/368947482.db2.gz FBASKNXQGOAHLH-UHFFFAOYSA-N 0 0 284.340 3.357 50 0 CGAARN O=C(C[C@H]1C=CCC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000032843069 368948477 /nfs/dbraw/zinc/94/84/77/368948477.db2.gz GWMZDGJEVVPJQG-AWEZNQCLSA-N 0 0 283.371 3.364 50 0 CGAARN C[C@H]1CCCC[C@H]1NC(=O)NCCc1cccc(F)c1 ZINC000032870522 368948776 /nfs/dbraw/zinc/94/87/76/368948776.db2.gz ZBQMXDNBEOYDKM-SWLSCSKDSA-N 0 0 278.371 3.246 50 0 CGAARN Cc1nnc(CN2CCC(c3c[nH]c4ccccc43)CC2)o1 ZINC000032879776 368948902 /nfs/dbraw/zinc/94/89/02/368948902.db2.gz GGCLGSVSBUJCSW-UHFFFAOYSA-N 0 0 296.374 3.239 50 0 CGAARN O=C(CCSc1nncs1)Nc1cccc(Cl)c1 ZINC000032871085 368949747 /nfs/dbraw/zinc/94/97/47/368949747.db2.gz IXGFTFXAMHUIDF-UHFFFAOYSA-N 0 0 299.808 3.312 50 0 CGAARN COc1ccccc1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000032925831 368953677 /nfs/dbraw/zinc/95/36/77/368953677.db2.gz SFULLLVLRSYLGR-UHFFFAOYSA-N 0 0 293.326 3.133 50 0 CGAARN C[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccncc1 ZINC000032930664 368953763 /nfs/dbraw/zinc/95/37/63/368953763.db2.gz HCZMZPKFYVMCOI-NSHDSACASA-N 0 0 274.751 3.096 50 0 CGAARN CC(=O)c1sc(Nc2c(C)cccc2C)nc1N ZINC000032947732 368954148 /nfs/dbraw/zinc/95/41/48/368954148.db2.gz QTOWENRZXAJKEL-UHFFFAOYSA-N 0 0 261.350 3.288 50 0 CGAARN COc1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000032985325 368954920 /nfs/dbraw/zinc/95/49/20/368954920.db2.gz XHHKUCUNCXDPDH-UHFFFAOYSA-N 0 0 295.338 3.132 50 0 CGAARN CCc1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1 ZINC000033025737 368956181 /nfs/dbraw/zinc/95/61/81/368956181.db2.gz GKHOGUKNXCAKIE-OAHLLOKOSA-N 0 0 296.370 3.039 50 0 CGAARN Cc1ccc(NC(=O)Cn2ccc3sccc3c2=O)cc1 ZINC000033173119 368958865 /nfs/dbraw/zinc/95/88/65/368958865.db2.gz VNDQBMSWWCQZJF-UHFFFAOYSA-N 0 0 298.367 3.010 50 0 CGAARN COc1cccc(/C=C\C(=O)OCc2c(C)noc2C)c1 ZINC000033463090 368965415 /nfs/dbraw/zinc/96/54/15/368965415.db2.gz KLHWXUARMYHCKE-FPLPWBNLSA-N 0 0 287.315 3.057 50 0 CGAARN COc1cc(OC)cc(Oc2ccc(C=O)cc2)c1 ZINC000036205322 369013552 /nfs/dbraw/zinc/01/35/52/369013552.db2.gz DCTJEWSCQVMUSN-UHFFFAOYSA-N 0 0 258.273 3.309 50 0 CGAARN CCCNC(=O)c1cncc(-c2ccccc2C)c1 ZINC000036346853 369018475 /nfs/dbraw/zinc/01/84/75/369018475.db2.gz TUBUEQWAUNLOOB-UHFFFAOYSA-N 0 0 254.333 3.197 50 0 CGAARN COc1ccc(C)cc1NC(=O)c1cccc2c[nH]nc21 ZINC000036393860 369019403 /nfs/dbraw/zinc/01/94/03/369019403.db2.gz HRNYOWCUGXCILF-UHFFFAOYSA-N 0 0 281.315 3.132 50 0 CGAARN C/C=C/C=C/C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000036398075 369021971 /nfs/dbraw/zinc/02/19/71/369021971.db2.gz YCEQPEZFZPIOPD-MGCXLJFFSA-N 0 0 251.276 3.274 50 0 CGAARN O=Cc1ccc(-c2ccc(Br)cn2)cc1 ZINC000036476210 369022218 /nfs/dbraw/zinc/02/22/18/369022218.db2.gz 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/nfs/dbraw/zinc/29/48/29/171294829.db2.gz XNGPWFMAGWDWMB-ZDUSSCGKSA-N 0 0 299.374 3.496 50 0 CGAARN COC[C@@H](C)NC(=O)CSc1c(C)c(C)cc(C)c1C ZINC000021285162 171300400 /nfs/dbraw/zinc/30/04/00/171300400.db2.gz YJDPMZGGTMSLSW-GFCCVEGCSA-N 0 0 295.448 3.163 50 0 CGAARN CC(=O)Nc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1 ZINC000021305325 171302343 /nfs/dbraw/zinc/30/23/43/171302343.db2.gz VSELKICXMCCYRU-UHFFFAOYSA-N 0 0 297.358 3.004 50 0 CGAARN Cc1csc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000021483273 171304537 /nfs/dbraw/zinc/30/45/37/171304537.db2.gz QHLJUARYXRXKDO-QWHCGFSZSA-N 0 0 290.363 3.011 50 0 CGAARN Cc1cc(C(=O)N2CCC[C@@H]2c2cccs2)on1 ZINC000021525295 171316305 /nfs/dbraw/zinc/31/63/05/171316305.db2.gz SBSVUOYHNRNADA-SNVBAGLBSA-N 0 0 262.334 3.022 50 0 CGAARN O=C(Nc1nccs1)c1cc(-c2cccs2)on1 ZINC000021524147 171316391 /nfs/dbraw/zinc/31/63/91/171316391.db2.gz QCVPFRDWZSRFCI-UHFFFAOYSA-N 0 0 277.330 3.112 50 0 CGAARN Cc1cccc(-n2ccnc(NCc3ccccc3)c2=O)c1 ZINC000021536884 171316616 /nfs/dbraw/zinc/31/66/16/171316616.db2.gz PHBMYTHCYZBNSE-UHFFFAOYSA-N 0 0 291.354 3.153 50 0 CGAARN CC(C)Nc1ncnc2onc(-c3cc(F)cc(F)c3)c21 ZINC000021714801 171319527 /nfs/dbraw/zinc/31/95/27/171319527.db2.gz LTOWWAXHFIZPCS-UHFFFAOYSA-N 0 0 290.273 3.383 50 0 CGAARN COc1cccc(C(=O)Nc2ccc(C)cc2F)c1OC ZINC000021704265 171319625 /nfs/dbraw/zinc/31/96/25/171319625.db2.gz DVDZFRVDUBBZGE-UHFFFAOYSA-N 0 0 289.306 3.404 50 0 CGAARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2F)on1 ZINC000021791341 171324093 /nfs/dbraw/zinc/32/40/93/171324093.db2.gz OPVXBSACAXQDHO-CYBMUJFWSA-N 0 0 274.295 3.099 50 0 CGAARN Cc1ccc(-c2nc(N)n(C(=O)C3CCCCC3)n2)cc1C ZINC000021805208 171327213 /nfs/dbraw/zinc/32/72/13/171327213.db2.gz BXBJBZZFHWNKPI-UHFFFAOYSA-N 0 0 298.390 3.365 50 0 CGAARN COc1ccc(CNc2nc(-c3ccccc3F)no2)cc1 ZINC000021922275 171337189 /nfs/dbraw/zinc/33/71/89/171337189.db2.gz KNFALKWJXXKDAD-UHFFFAOYSA-N 0 0 299.305 3.496 50 0 CGAARN Cc1ccccc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000022324064 171385183 /nfs/dbraw/zinc/38/51/83/171385183.db2.gz HJQXOQAABYHYEO-QGZVFWFLSA-N 0 0 281.355 3.209 50 0 CGAARN Cc1c(F)cccc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000022328938 171385737 /nfs/dbraw/zinc/38/57/37/171385737.db2.gz HCVLIZDRLAYAHA-QGZVFWFLSA-N 0 0 299.345 3.348 50 0 CGAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1cccnc1 ZINC000022380846 171386067 /nfs/dbraw/zinc/38/60/67/171386067.db2.gz GJCJKZZZOQPVBW-GFCCVEGCSA-N 0 0 287.338 3.123 50 0 CGAARN CC(=O)Nc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 ZINC000022511535 171389437 /nfs/dbraw/zinc/38/94/37/171389437.db2.gz NTMMLSGNJOUKHS-UHFFFAOYSA-N 0 0 296.370 3.192 50 0 CGAARN CCOc1ccc(OCC)c(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000024041297 171430645 /nfs/dbraw/zinc/43/06/45/171430645.db2.gz LNKDMSXXCMCCPS-CMPLNLGQSA-N 0 0 263.337 3.079 50 0 CGAARN O=C(c1ccoc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024694693 171439598 /nfs/dbraw/zinc/43/95/98/171439598.db2.gz XDHAGNIQZRCZDB-GFCCVEGCSA-N 0 0 296.326 3.441 50 0 CGAARN COc1ccccc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024895250 171443340 /nfs/dbraw/zinc/44/33/40/171443340.db2.gz LYPBTROVWAIULJ-UHFFFAOYSA-N 0 0 293.326 3.338 50 0 CGAARN COc1ccccc1NC(=O)c1ccc(Cl)o1 ZINC000025010625 171447017 /nfs/dbraw/zinc/44/70/17/171447017.db2.gz PGXDLBPHXYTOGU-UHFFFAOYSA-N 0 0 251.669 3.194 50 0 CGAARN O=C(Cc1cccc(F)c1)NCc1ccc(Cl)s1 ZINC000025519745 171459655 /nfs/dbraw/zinc/45/96/55/171459655.db2.gz PMHBXSNLMDOVQU-UHFFFAOYSA-N 0 0 283.755 3.400 50 0 CGAARN C[C@H](NC(=O)c1ccco1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027305306 171512138 /nfs/dbraw/zinc/51/21/38/171512138.db2.gz ZLHVTQIIKDNXLS-NSHDSACASA-N 0 0 298.342 3.119 50 0 CGAARN CCCCC(=O)Nc1nonc1-c1ccc(OC)c(C)c1 ZINC000027664652 171528794 /nfs/dbraw/zinc/52/87/94/171528794.db2.gz VEXDUOFONQRGAX-UHFFFAOYSA-N 0 0 289.335 3.182 50 0 CGAARN O=C(NCCCn1cccn1)c1ccc(Cl)cc1Cl ZINC000027928393 171538925 /nfs/dbraw/zinc/53/89/25/171538925.db2.gz LYIGLVRCZUZZCM-UHFFFAOYSA-N 0 0 298.173 3.010 50 0 CGAARN CCOCc1ccccc1CNC(=O)c1ccc(C)cc1 ZINC000030179527 171614200 /nfs/dbraw/zinc/61/42/00/171614200.db2.gz CCGQRKLPKWRPFP-UHFFFAOYSA-N 0 0 283.371 3.462 50 0 CGAARN C[C@@H](C(=O)Nc1ccccc1)n1cnc2ccccc21 ZINC000030597916 171619272 /nfs/dbraw/zinc/61/92/72/171619272.db2.gz XMBALOXJMVNQHN-LBPRGKRZSA-N 0 0 265.316 3.236 50 0 CGAARN CC(C)c1noc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000030715007 171622104 /nfs/dbraw/zinc/62/21/04/171622104.db2.gz QIHZUQZZJHBESB-UHFFFAOYSA-N 0 0 295.383 3.308 50 0 CGAARN Cc1cc(CN(C)Cc2ncc(-c3ccccc3)o2)no1 ZINC000031655898 171642037 /nfs/dbraw/zinc/64/20/37/171642037.db2.gz GJTIBUOMNBFUNV-UHFFFAOYSA-N 0 0 283.331 3.270 50 0 CGAARN Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000032038349 171688317 /nfs/dbraw/zinc/68/83/17/171688317.db2.gz VNBLEXYWDOLHGW-ZCFIWIBFSA-N 0 0 284.768 3.497 50 0 CGAARN Cc1ccccc1CN(C)C(=O)c1cc(Cl)ccn1 ZINC000032727663 171746124 /nfs/dbraw/zinc/74/61/24/171746124.db2.gz LMLAHEAXOKBXBW-UHFFFAOYSA-N 0 0 274.751 3.316 50 0 CGAARN Cc1ccc(CCC(=O)N2CCCC2)cc1Cl ZINC000032845979 171755385 /nfs/dbraw/zinc/75/53/85/171755385.db2.gz CZEBGBPIGHPJAM-UHFFFAOYSA-N 0 0 251.757 3.203 50 0 CGAARN O=C(CCc1ccco1)Nc1cc(F)ccc1F ZINC000033000688 171767606 /nfs/dbraw/zinc/76/76/06/171767606.db2.gz HWZULVFCABRGPV-UHFFFAOYSA-N 0 0 251.232 3.129 50 0 CGAARN Cc1nc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)no1 ZINC000033077055 171769976 /nfs/dbraw/zinc/76/99/76/171769976.db2.gz UQEBELAYMVTHMX-UHFFFAOYSA-N 0 0 297.289 3.436 50 0 CGAARN CCNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033129578 171771447 /nfs/dbraw/zinc/77/14/47/171771447.db2.gz ITCPNOFUAARXHF-UHFFFAOYSA-N 0 0 293.326 3.153 50 0 CGAARN CC(C)c1noc(CCC(=O)Nc2ccc(F)c(F)c2)n1 ZINC000033147606 171771878 /nfs/dbraw/zinc/77/18/78/171771878.db2.gz IWZUGDFZWDEMKH-UHFFFAOYSA-N 0 0 295.289 3.043 50 0 CGAARN COCc1noc([C@@H](C)N2CCC=C(c3ccccc3)C2)n1 ZINC000284927211 196158592 /nfs/dbraw/zinc/15/85/92/196158592.db2.gz YCHQZSMVCBPFBH-CYBMUJFWSA-N 0 0 299.374 3.066 50 0 CGAARN CC(C)CC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000035538218 172244619 /nfs/dbraw/zinc/24/46/19/172244619.db2.gz FJARRVCAGBWVRR-UHFFFAOYSA-N 0 0 293.754 3.052 50 0 CGAARN Cc1ccc(NCCC(=O)OCC(F)(F)C(F)F)cc1 ZINC000035655129 172331255 /nfs/dbraw/zinc/33/12/55/172331255.db2.gz SBZAJTTXOAXLKH-UHFFFAOYSA-N 0 0 293.260 3.241 50 0 CGAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccncc3)c12 ZINC000036359492 172625913 /nfs/dbraw/zinc/62/59/13/172625913.db2.gz VEDHRNXDZCFYEH-UHFFFAOYSA-N 0 0 296.330 3.302 50 0 CGAARN COc1cc(OC)cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000037218972 173037185 /nfs/dbraw/zinc/03/71/85/173037185.db2.gz ICXIDAXNPCCVTN-XHBSWPGZSA-N 0 0 291.391 3.258 50 0 CGAARN NC(=O)Nc1ccc(N[C@H]2CCc3ccccc3C2)cc1 ZINC000037317673 173118154 /nfs/dbraw/zinc/11/81/54/173118154.db2.gz MBGJTGPOQCKXJO-INIZCTEOSA-N 0 0 281.359 3.147 50 0 CGAARN CCN(Cc1ccco1)C(=O)c1cc2ccccc2[nH]1 ZINC000037499574 173237815 /nfs/dbraw/zinc/23/78/15/173237815.db2.gz AJKQEPFIWDJRCF-UHFFFAOYSA-N 0 0 268.316 3.423 50 0 CGAARN Brc1ccc(C2=CSC3=NCCN23)cc1 ZINC000037858639 173808022 /nfs/dbraw/zinc/80/80/22/173808022.db2.gz PVPFCMJKVBCGES-UHFFFAOYSA-N 0 0 281.178 3.166 50 0 CGAARN O=C(/C=C/c1ccco1)N(c1ccccn1)c1ccccn1 ZINC000037868910 173814674 /nfs/dbraw/zinc/81/46/74/173814674.db2.gz VVZAODPQTBZEMJ-MDZDMXLPSA-N 0 0 291.310 3.448 50 0 CGAARN Cc1c2ccccc2oc1C(=O)NCc1ccccn1 ZINC000038144629 174134307 /nfs/dbraw/zinc/13/43/07/174134307.db2.gz RLEBEHCFVARREO-UHFFFAOYSA-N 0 0 266.300 3.066 50 0 CGAARN O=C(N=c1[nH]c2ccccc2s1)OCC(F)(F)F ZINC000038342390 174140124 /nfs/dbraw/zinc/14/01/24/174140124.db2.gz PQTVLABBSSEIMV-UHFFFAOYSA-N 0 0 276.239 3.407 50 0 CGAARN CC(C)(C)NC(=O)c1ccc(F)c(Br)c1 ZINC000038537053 174144758 /nfs/dbraw/zinc/14/47/58/174144758.db2.gz DCQTUUIYIQBVMU-UHFFFAOYSA-N 0 0 274.133 3.117 50 0 CGAARN COc1ccc([C@@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000038566411 174146599 /nfs/dbraw/zinc/14/65/99/174146599.db2.gz SJQBSZJOBQQWQH-MRXNPFEDSA-N 0 0 281.355 3.325 50 0 CGAARN CC(=O)OC[C@@]12CO[C@@H](C(C)C)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000038550097 174146892 /nfs/dbraw/zinc/14/68/92/174146892.db2.gz SQWFDRMYRHIVHH-DRANZPFZSA-N 0 0 280.408 3.439 50 0 biogenic CGAARN Cc1nnc([C@H]2CCCN(C(=O)C3CCCCC3)C2)s1 ZINC000038666510 174151547 /nfs/dbraw/zinc/15/15/47/174151547.db2.gz AZMZHQPOLVKQNH-ZDUSSCGKSA-N 0 0 293.436 3.133 50 0 CGAARN Cc1ccc(C)c(N2C[C@@H](c3nc(C4CC4)no3)CC2=O)c1 ZINC000038913842 174159334 /nfs/dbraw/zinc/15/93/34/174159334.db2.gz QETOLEKBYMBTAJ-ZDUSSCGKSA-N 0 0 297.358 3.084 50 0 CGAARN CC(C)(C)OC(=O)NCCc1ccc(Cl)cc1 ZINC000039021780 174160962 /nfs/dbraw/zinc/16/09/62/174160962.db2.gz DRJONERMNYANKB-UHFFFAOYSA-N 0 0 255.745 3.407 50 0 CGAARN CSCCSc1nnc(C)n1-c1ccccc1C ZINC000039978318 174180974 /nfs/dbraw/zinc/18/09/74/174180974.db2.gz WMLJDRIJEZOBCS-UHFFFAOYSA-N 0 0 279.434 3.339 50 0 CGAARN Cc1ccc(NCc2nc(-c3ccco3)no2)cc1F ZINC000040057027 174185788 /nfs/dbraw/zinc/18/57/88/174185788.db2.gz MEABBCGGMLDXFO-UHFFFAOYSA-N 0 0 273.267 3.389 50 0 CGAARN CCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000040069409 174186463 /nfs/dbraw/zinc/18/64/63/174186463.db2.gz BZJJELNCBDXPFY-QMMMGPOBSA-N 0 0 256.143 3.036 50 0 CGAARN O=C(NCc1ncc(-c2ccccc2)o1)c1ccccc1F ZINC000040088195 174188880 /nfs/dbraw/zinc/18/88/80/174188880.db2.gz OTLAYVYRNSRECF-UHFFFAOYSA-N 0 0 296.301 3.411 50 0 CGAARN C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000040103357 174190439 /nfs/dbraw/zinc/19/04/39/174190439.db2.gz GMVHSFVRLLEFJY-GFCCVEGCSA-N 0 0 258.365 3.439 50 0 CGAARN O=C(Nc1cccc(OC(F)F)c1)NC1CCCC1 ZINC000040120533 174192912 /nfs/dbraw/zinc/19/29/12/174192912.db2.gz AQZVYGAANWJWHZ-UHFFFAOYSA-N 0 0 270.279 3.352 50 0 CGAARN CC(=O)c1csc(NC(=O)CCCc2ccccc2)n1 ZINC000040131717 174193587 /nfs/dbraw/zinc/19/35/87/174193587.db2.gz KATDAKDOKUHRFY-UHFFFAOYSA-N 0 0 288.372 3.307 50 0 CGAARN CC(C)CC(=O)NCCCSc1ccccc1 ZINC000040160512 174195681 /nfs/dbraw/zinc/19/56/81/174195681.db2.gz MMHMIOXHGCGFRZ-UHFFFAOYSA-N 0 0 251.395 3.331 50 0 CGAARN CC[C@@H](C)NC(=O)CCCSc1ccccc1 ZINC000040160749 174195948 /nfs/dbraw/zinc/19/59/48/174195948.db2.gz 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/nfs/dbraw/zinc/37/45/44/230374544.db2.gz MBZBYUAKQQQARN-UHFFFAOYSA-N 0 0 295.342 3.061 50 0 CGAARN CCn1cc(CN(C)[C@@H](C)c2ncc(C(C)(C)C)o2)cn1 ZINC000096447991 230375054 /nfs/dbraw/zinc/37/50/54/230375054.db2.gz PHLVASLSADPXPS-LBPRGKRZSA-N 0 0 290.411 3.382 50 0 CGAARN O=C(C[C@H]1CCCO1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000096450168 230375778 /nfs/dbraw/zinc/37/57/78/230375778.db2.gz ZQDQZZSETSFGFY-CYBMUJFWSA-N 0 0 293.338 3.265 50 0 CGAARN Cc1ccccc1C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000082087145 177920137 /nfs/dbraw/zinc/92/01/37/177920137.db2.gz STMPZUMSWLJRDW-CYBMUJFWSA-N 0 0 294.354 3.230 50 0 CGAARN CCc1cccc(OC2CN(C(=O)c3cccc(F)c3)C2)c1 ZINC000082120544 177922249 /nfs/dbraw/zinc/92/22/49/177922249.db2.gz QFOZJZIKZNPIPN-UHFFFAOYSA-N 0 0 299.345 3.292 50 0 CGAARN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(C)c1 ZINC000096486108 230381611 /nfs/dbraw/zinc/38/16/11/230381611.db2.gz CRSJAJSMWCJDIC-HNNXBMFYSA-N 0 0 283.375 3.312 50 0 CGAARN O=C1C[C@H](Cc2ccccc2)CN1CCCCCF ZINC000095505602 185000444 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251.285 3.472 50 0 CGAARN COC(=O)c1ccc2cc1CCc1ccc(cc1)CC2 ZINC000000393234 368357012 /nfs/dbraw/zinc/35/70/12/368357012.db2.gz VKICZEJJIQFFJB-UHFFFAOYSA-N 0 0 266.340 3.357 50 0 CGAARN Cc1ccc(NC(=O)NCc2cccnc2)cc1Cl ZINC000000396561 368357700 /nfs/dbraw/zinc/35/77/00/368357700.db2.gz IYBDNXAHWKFDLJ-UHFFFAOYSA-N 0 0 275.739 3.365 50 0 CGAARN COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000000464481 368373111 /nfs/dbraw/zinc/37/31/11/368373111.db2.gz PANHWXSRURVAHQ-UHFFFAOYSA-N 0 0 297.763 3.149 50 0 CGAARN COc1ccc(NC(=O)Cc2ccc(C)cc2)cc1 ZINC000000464820 368373129 /nfs/dbraw/zinc/37/31/29/368373129.db2.gz GSMUEXKGNPDUCN-UHFFFAOYSA-N 0 0 255.317 3.185 50 0 biogenic CGAARN CCc1ccccc1NC(=O)Nc1ccc(CCO)cc1 ZINC000000400256 368358548 /nfs/dbraw/zinc/35/85/48/368358548.db2.gz FPZDYSFJXOLYOY-UHFFFAOYSA-N 0 0 284.359 3.428 50 0 CGAARN COc1ccc(NC(=O)NCc2ccc(C)cc2)cc1 ZINC000000401739 368358607 /nfs/dbraw/zinc/35/86/07/368358607.db2.gz FUFBEUJKESIJOJ-UHFFFAOYSA-N 0 0 270.332 3.325 50 0 CGAARN 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O=C1CCCC[C@@H]1[C@@H](O)c1ccc(Br)cc1 ZINC000000450542 296318185 /nfs/dbraw/zinc/31/81/85/296318185.db2.gz GZGMNLNQWODJCF-AAEUAGOBSA-N 0 0 283.165 3.242 50 0 CGAARN COc1cc(OC)cc(-c2nc3ccc(C)cc3c(=O)o2)c1 ZINC000000261815 169590296 /nfs/dbraw/zinc/59/02/96/169590296.db2.gz LKUKAVJRPOSYOS-UHFFFAOYSA-N 0 0 297.310 3.181 50 0 CGAARN C[C@H](CN1CC(c2nc3ccccc3[nH]2)C1)C(F)(F)F ZINC000215917129 542285713 /nfs/dbraw/zinc/28/57/13/542285713.db2.gz UPAJXXDVVZDCOL-SECBINFHSA-N 0 0 283.297 3.161 50 0 CGAARN COC(=O)c1ccc(CNc2cccc(F)c2)cc1 ZINC000000276938 169595149 /nfs/dbraw/zinc/59/51/49/169595149.db2.gz IPWZVYVRXIXUTF-UHFFFAOYSA-N 0 0 259.280 3.224 50 0 CGAARN Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 ZINC000000350719 169614710 /nfs/dbraw/zinc/61/47/10/169614710.db2.gz YPVSAJJSTUQGRX-DLBZAZTESA-N 0 0 287.359 3.055 50 0 CGAARN Cc1cc(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 ZINC000000351988 169615124 /nfs/dbraw/zinc/61/51/24/169615124.db2.gz UVQKIOKNSYFKBU-UHFFFAOYSA-N 0 0 294.306 3.363 50 0 biogenic 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Cc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1 ZINC000000465744 169647984 /nfs/dbraw/zinc/64/79/84/169647984.db2.gz WQZCWFDLDCBIRO-UHFFFAOYSA-N 0 0 271.335 3.036 50 0 biogenic CGAARN O=C(c1ccncc1)N1CCC(Cc2ccccc2)CC1 ZINC000000476969 169651284 /nfs/dbraw/zinc/65/12/84/169651284.db2.gz GURDOPZZTHQUTC-UHFFFAOYSA-N 0 0 280.371 3.177 50 0 CGAARN O=C1CC[C@]2(c3ccccc3)Nc3ccccc3N12 ZINC000005593675 296332049 /nfs/dbraw/zinc/33/20/49/296332049.db2.gz IIXONMQPWUMMAB-INIZCTEOSA-N 0 0 250.301 3.092 50 0 CGAARN CCOc1ccccc1/C=C1\N=C(c2cccs2)OC1=O ZINC000000509207 169658896 /nfs/dbraw/zinc/65/88/96/169658896.db2.gz CYFYUUNWODHKAX-BENRWUELSA-N 0 0 299.351 3.491 50 0 CGAARN O=C1NCCCC[C@H]1Sc1nc2ccccc2s1 ZINC000032871650 296367484 /nfs/dbraw/zinc/36/74/84/296367484.db2.gz QUXBIZDQPTYEQL-LLVKDONJSA-N 0 0 278.402 3.057 50 0 CGAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(Cl)cc1F ZINC000102735918 296419571 /nfs/dbraw/zinc/41/95/71/296419571.db2.gz CPDSXPHRXGHBNU-AOOOYVTPSA-N 0 0 281.714 3.159 50 0 CGAARN CCc1ccc([C@@H](COC)NC(=O)c2sccc2C)o1 ZINC000096423299 256759550 /nfs/dbraw/zinc/75/95/50/256759550.db2.gz HFDVMMHXLMBMQE-GFCCVEGCSA-N 0 0 293.388 3.329 50 0 CGAARN CC[C@@H](O)c1ccc(OCc2nc(C)c(C)o2)cc1 ZINC000096417351 256763234 /nfs/dbraw/zinc/76/32/34/256763234.db2.gz NHVDYCCICXFODZ-CQSZACIVSA-N 0 0 261.321 3.314 50 0 CGAARN Cc1n[nH]cc1-c1ccc(-c2csc(N)n2)cc1 ZINC000096180540 256778841 /nfs/dbraw/zinc/77/88/41/256778841.db2.gz ZWSLRAUZRKTCDB-UHFFFAOYSA-N 0 0 256.334 3.091 50 0 CGAARN CC(C)c1noc(NC(=O)c2cc3ccccc3o2)n1 ZINC000096411647 256766988 /nfs/dbraw/zinc/76/69/88/256766988.db2.gz CDMZDFMUOVQWRT-UHFFFAOYSA-N 0 0 271.276 3.192 50 0 CGAARN CCCOc1ccccc1C(=O)Nc1cc(C)ccn1 ZINC000096319243 256889008 /nfs/dbraw/zinc/88/90/08/256889008.db2.gz HUJWJCWRHGRHEF-UHFFFAOYSA-N 0 0 270.332 3.431 50 0 CGAARN O=C1c2ccccc2N[C@H](c2ccsc2)N1C1CC1 ZINC000007885882 296440688 /nfs/dbraw/zinc/44/06/88/296440688.db2.gz WVZFJWNOWJIUQF-AWEZNQCLSA-N 0 0 270.357 3.477 50 0 CGAARN Cc1cccc(C)c1NC(=O)COc1ccc(F)cc1 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184979882 /nfs/dbraw/zinc/97/98/82/184979882.db2.gz FAMYNGRQTXZBPQ-UHFFFAOYSA-N 0 0 273.311 3.289 50 0 CGAARN OCc1ccncc1NCc1csc(-c2ccccc2)n1 ZINC000095448712 184989781 /nfs/dbraw/zinc/98/97/81/184989781.db2.gz ZPWVJVVBSGGOEL-UHFFFAOYSA-N 0 0 297.383 3.310 50 0 CGAARN CCCn1nnnc1-c1cc(Cl)cc(Cl)c1 ZINC000001405270 169703235 /nfs/dbraw/zinc/70/32/35/169703235.db2.gz IGSZRLDBDNXRFA-UHFFFAOYSA-N 0 0 257.124 3.057 50 0 CGAARN O[C@]12CCCC[C@H]1Cc1c(ccc3ncccc31)O2 ZINC000071771977 285379661 /nfs/dbraw/zinc/37/96/61/285379661.db2.gz GWNKHGJLYKTDKI-ZBEGNZNMSA-N 0 0 255.317 3.049 50 0 CGAARN S=C1N/C(=C2/NC(=S)c3ccccc32)c2ccccc21 ZINC000105449398 285409787 /nfs/dbraw/zinc/40/97/87/285409787.db2.gz ZQHYBFNXLCXWLH-BUHFOSPRSA-N 0 0 294.404 3.070 50 0 CGAARN C[C@@H](CC(=O)c1ccco1)NC(=O)CCc1ccsc1 ZINC000096469163 533459226 /nfs/dbraw/zinc/45/92/26/533459226.db2.gz OLJMEBUUMRLTOY-NSHDSACASA-N 0 0 291.372 3.051 50 0 CGAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc2snnc2c1 ZINC000000254516 391907174 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/nfs/dbraw/zinc/95/25/32/391952532.db2.gz IGZMMPLVVVLEMN-UHFFFAOYSA-N 0 0 296.301 3.500 50 0 CGAARN Cc1cccc(C(=O)N[C@H](C)c2ccccn2)c1C ZINC000032973751 391971462 /nfs/dbraw/zinc/97/14/62/391971462.db2.gz BCJKDTGAKJVRBZ-CYBMUJFWSA-N 0 0 254.333 3.189 50 0 CGAARN CC[C@@H]1Cn2c(C(=O)N3CCCC3)cc3cccc(c32)O1 ZINC000035477388 391975460 /nfs/dbraw/zinc/97/54/60/391975460.db2.gz CRTGNSTTXBCAAJ-CYBMUJFWSA-N 0 0 284.359 3.048 50 0 CGAARN Cc1ccsc1C(=O)N1CCOc2ccccc21 ZINC000036763963 391977189 /nfs/dbraw/zinc/97/71/89/391977189.db2.gz BTBSCVXTXAXVIK-UHFFFAOYSA-N 0 0 259.330 3.096 50 0 CGAARN CC[C@@H](C)[C@@H](NC(=O)C(C)C)c1nc2ccccc2[nH]1 ZINC000048892562 392024794 /nfs/dbraw/zinc/02/47/94/392024794.db2.gz PUTUTZLVRWZPIT-BXUZGUMPSA-N 0 0 273.380 3.422 50 0 CGAARN CC[C@@H](OC)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000049428110 392048145 /nfs/dbraw/zinc/04/81/45/392048145.db2.gz XZEKXKQSPGOTSC-NWDGAFQWSA-N 0 0 299.823 3.418 50 0 CGAARN NC(=O)c1coc(-c2csc(-c3ccccc3)n2)c1 ZINC000066106470 392151186 /nfs/dbraw/zinc/15/11/86/392151186.db2.gz DUJWUGLRLHOFOS-UHFFFAOYSA-N 0 0 270.313 3.169 50 0 CGAARN Nc1n[nH]c(-c2cccc(Cl)c2)c1Br ZINC000095100057 392242786 /nfs/dbraw/zinc/24/27/86/392242786.db2.gz QACFFJNVDIDMCH-UHFFFAOYSA-N 0 0 272.533 3.075 50 0 CGAARN CO[C@H](CNC(=O)c1ccccc1F)c1ccsc1 ZINC000096097372 392245084 /nfs/dbraw/zinc/24/50/84/392245084.db2.gz LRXBOEKYXUAOLE-CYBMUJFWSA-N 0 0 279.336 3.005 50 0 CGAARN CCOc1cccc(/C=C\c2ncc(C(=O)NC)s2)c1 ZINC000096315683 392248073 /nfs/dbraw/zinc/24/80/73/392248073.db2.gz FPKFRKXSPAKTSE-FPLPWBNLSA-N 0 0 288.372 3.072 50 0 CGAARN COc1cc(-c2noc([C@@H]3C[C@H]3c3ccco3)n2)ccn1 ZINC000096406086 392248895 /nfs/dbraw/zinc/24/88/95/392248895.db2.gz JITADQMCYNOALN-GHMZBOCLSA-N 0 0 283.287 3.004 50 0 CGAARN COCc1ccccc1C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000096409476 392250110 /nfs/dbraw/zinc/25/01/10/392250110.db2.gz APALRMIJBDNBLA-KBPBESRZSA-N 0 0 293.432 3.237 50 0 CGAARN C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1cccnc1 ZINC000096412336 392251095 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O=C1CCC[C@@H]1Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000003562465 368514234 /nfs/dbraw/zinc/51/42/34/368514234.db2.gz KEMIUVMEDYJFGQ-AWEZNQCLSA-N 0 0 299.399 3.358 50 0 CGAARN CC[C@@H](C)NC(=O)CSc1nc2ccccc2s1 ZINC000003602803 368515274 /nfs/dbraw/zinc/51/52/74/368515274.db2.gz OBXUWSUIBNFQKY-SECBINFHSA-N 0 0 280.418 3.303 50 0 CGAARN O=C1c2ccccc2C(=O)N1C12CC3CC(CC(C3)C1)C2 ZINC000003810791 368519690 /nfs/dbraw/zinc/51/96/90/368519690.db2.gz NNPFLBWYAZEFOL-UHFFFAOYSA-N 0 0 281.355 3.251 50 0 CGAARN Cc1ccccc1-c1nc(-c2ccc(O)cc2)no1 ZINC000004603061 368552970 /nfs/dbraw/zinc/55/29/70/368552970.db2.gz HSVXEEMZFOBQEB-UHFFFAOYSA-N 0 0 252.273 3.418 50 0 CGAARN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000004656318 368554743 /nfs/dbraw/zinc/55/47/43/368554743.db2.gz IOLDZYWCKBEIQU-CYBMUJFWSA-N 0 0 297.354 3.257 50 0 CGAARN Cc1nn2c(nc(Cl)c3ccccc32)c1Cl ZINC000004218729 368536219 /nfs/dbraw/zinc/53/62/19/368536219.db2.gz BLKAQFDRUJKGDE-UHFFFAOYSA-N 0 0 252.104 3.498 50 0 CGAARN O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCCCCC[C@H]21 ZINC000004218855 368536532 /nfs/dbraw/zinc/53/65/32/368536532.db2.gz WSOWVGXJLPXERY-ZIAGYGMSSA-N 0 0 299.823 3.436 50 0 CGAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 ZINC000004248194 368537855 /nfs/dbraw/zinc/53/78/55/368537855.db2.gz QPXOYPGATASOSR-AWEZNQCLSA-N 0 0 286.356 3.151 50 0 CGAARN Cc1c2ccccc2oc1C(=O)Nc1nccs1 ZINC000004291708 368540596 /nfs/dbraw/zinc/54/05/96/368540596.db2.gz RDJWFCYOWJFLNV-UHFFFAOYSA-N 0 0 258.302 3.450 50 0 CGAARN CCc1cccc2c(C(C)=O)cn(CC(=O)N3CCCC3)c21 ZINC000004384763 368544771 /nfs/dbraw/zinc/54/47/71/368544771.db2.gz AMMIQVWFMWUCGN-UHFFFAOYSA-N 0 0 298.386 3.029 50 0 CGAARN Nc1ccccc1SC1=CS(=O)(=O)c2ccccc21 ZINC000004411977 368545594 /nfs/dbraw/zinc/54/55/94/368545594.db2.gz CNUSMSPBWWXOPL-UHFFFAOYSA-N 0 0 289.381 3.147 50 0 CGAARN Fc1cccc(Cl)c1Cn1nnc2ccccc21 ZINC000004487636 368547567 /nfs/dbraw/zinc/54/75/67/368547567.db2.gz MXRCQHTZDQDMQU-UHFFFAOYSA-N 0 0 261.687 3.272 50 0 CGAARN CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCCCC1 ZINC000004475821 368547600 /nfs/dbraw/zinc/54/76/00/368547600.db2.gz AQJNUOOUKNMCCX-OAHLLOKOSA-N 0 0 299.422 3.003 50 0 CGAARN O=C(NCCc1ccccc1)Nc1ccccc1F ZINC000004539226 368549528 /nfs/dbraw/zinc/54/95/28/368549528.db2.gz GQQSKDZOMKOMRL-UHFFFAOYSA-N 0 0 258.296 3.190 50 0 CGAARN Cc1ccc(/C=C/c2ccc(-[n+]3cc(=O)o[n-]3)cc2)c(C)c1 ZINC000004543142 368550978 /nfs/dbraw/zinc/55/09/78/368550978.db2.gz KTGJHOPLCVTDII-XBXARRHUSA-O 0 0 293.346 3.032 50 0 CGAARN COc1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000004575765 368551451 /nfs/dbraw/zinc/55/14/51/368551451.db2.gz WONMJIPSNWFZHD-UHFFFAOYSA-N 0 0 285.343 3.330 50 0 CGAARN Fc1ccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000006667551 368569526 /nfs/dbraw/zinc/56/95/26/368569526.db2.gz BSMCQFGNFCKUNK-OAHLLOKOSA-N 0 0 274.383 3.304 50 0 CGAARN Cc1ccc(C[NH2+]Cc2c3ccc(C)cc3[nH]c2C(=O)[O-])o1 ZINC000006894436 368570808 /nfs/dbraw/zinc/57/08/08/368570808.db2.gz NCAVOQHYGJTEOW-UHFFFAOYSA-N 0 0 298.342 3.366 50 0 CGAARN C[C@@H]1CSC=NN1c1ccc(Br)cc1 ZINC000008534453 368573680 /nfs/dbraw/zinc/57/36/80/368573680.db2.gz LFBPNOJTQSVUSO-MRVPVSSYSA-N 0 0 271.183 3.334 50 0 CGAARN O=C(Nc1onc2c1CCCC2)c1nc2ccccc2s1 ZINC000008976561 368575324 /nfs/dbraw/zinc/57/53/24/368575324.db2.gz UPRVWAGKVDURRQ-UHFFFAOYSA-N 0 0 299.355 3.415 50 0 CGAARN O=C(OCc1cccc2cccnc21)c1cccc(O)c1 ZINC000010214049 368578470 /nfs/dbraw/zinc/57/84/70/368578470.db2.gz BVKOYYAMEKEQOI-UHFFFAOYSA-N 0 0 279.295 3.297 50 0 CGAARN COc1ccc(OC[C@H](C)NC(=O)c2ccccc2C)cc1 ZINC000010542483 368583799 /nfs/dbraw/zinc/58/37/99/368583799.db2.gz RXPRVCGYQZEADO-AWEZNQCLSA-N 0 0 299.370 3.201 50 0 CGAARN O=C(C1=CCCC1)N1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000011843372 368597265 /nfs/dbraw/zinc/59/72/65/368597265.db2.gz FRUBVJZPZJDBCX-INIZCTEOSA-N 0 0 288.366 3.339 50 0 CGAARN O=c1c2ccsc2ncn1Cc1cccc2cccnc21 ZINC000010620511 368584765 /nfs/dbraw/zinc/58/47/65/368584765.db2.gz IKPDJJPAMRNSOT-UHFFFAOYSA-N 0 0 293.351 3.055 50 0 CGAARN Cc1cnc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)s1 ZINC000010625784 368585691 /nfs/dbraw/zinc/58/56/91/368585691.db2.gz KSLJKLRPXXCBJJ-NSHDSACASA-N 0 0 294.763 3.047 50 0 CGAARN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccnc1 ZINC000010742094 368586010 /nfs/dbraw/zinc/58/60/10/368586010.db2.gz KZLLUBRGIYEVOJ-UHFFFAOYSA-N 0 0 280.249 3.282 50 0 CGAARN COc1cccc(CC(=O)Nc2ccc3[nH]c(C)nc3c2)c1 ZINC000010896183 368587394 /nfs/dbraw/zinc/58/73/94/368587394.db2.gz HCONHLQMCHYJKL-UHFFFAOYSA-N 0 0 295.342 3.061 50 0 CGAARN CCCOC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000011005435 368587716 /nfs/dbraw/zinc/58/77/16/368587716.db2.gz VGKBONCWERODHD-UHFFFAOYSA-N 0 0 299.355 3.320 50 0 CGAARN Cc1csc(NC(=O)[C@H]2Cc3ccccc3S2)n1 ZINC000011374388 368590211 /nfs/dbraw/zinc/59/02/11/368590211.db2.gz ICEPGXNZCGBIFY-LLVKDONJSA-N 0 0 276.386 3.107 50 0 CGAARN COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2C)c1 ZINC000011554414 368591840 /nfs/dbraw/zinc/59/18/40/368591840.db2.gz PBPAKICOHCAPIG-LBPRGKRZSA-N 0 0 285.347 3.105 50 0 CGAARN Cc1cc(C)c2sc(NC(=O)C3CCCC3)nc2n1 ZINC000011666316 368593224 /nfs/dbraw/zinc/59/32/24/368593224.db2.gz RLKUUDNKIYTBDB-UHFFFAOYSA-N 0 0 275.377 3.437 50 0 CGAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CC1(Cl)Cl ZINC000006231968 368566260 /nfs/dbraw/zinc/56/62/60/368566260.db2.gz UNKJXQRWBXPCJX-VXGBXAGGSA-N 0 0 284.186 3.374 50 0 CGAARN O=C(NC1CCCCCC1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000006590029 368567102 /nfs/dbraw/zinc/56/71/02/368567102.db2.gz FHNZHOBLXQFXFH-HNNXBMFYSA-N 0 0 293.794 3.483 50 0 CGAARN Fc1cccc2sc(NCc3cccnc3)nc21 ZINC000011919981 368599429 /nfs/dbraw/zinc/59/94/29/368599429.db2.gz CHDLFOARNVUJAJ-UHFFFAOYSA-N 0 0 259.309 3.443 50 0 CGAARN CCOc1ccccc1C(=O)Oc1ccc(NC(C)=O)cc1 ZINC000012137958 368603804 /nfs/dbraw/zinc/60/38/04/368603804.db2.gz KSFIFHUJDDDLEU-UHFFFAOYSA-N 0 0 299.326 3.263 50 0 CGAARN O=C(NCc1cc(-c2cccs2)on1)c1cccs1 ZINC000012235899 368606660 /nfs/dbraw/zinc/60/66/60/368606660.db2.gz LTOJDSLHSFGWPN-UHFFFAOYSA-N 0 0 290.369 3.395 50 0 CGAARN CC[C@@H]1CN(Cc2ccccn2)Cc2cc(OC)ccc2O1 ZINC000012243088 368606685 /nfs/dbraw/zinc/60/66/85/368606685.db2.gz DNQZHOOPYZTXNR-MRXNPFEDSA-N 0 0 298.386 3.263 50 0 CGAARN Oc1ccc(Br)c(OC(F)(F)F)c1 ZINC000012359284 368609360 /nfs/dbraw/zinc/60/93/60/368609360.db2.gz PGJZBAVEKVWHIO-UHFFFAOYSA-N 0 0 257.005 3.053 50 0 CGAARN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccon1 ZINC000012383121 368610490 /nfs/dbraw/zinc/61/04/90/368610490.db2.gz QERLTEVQGXLSIO-NSHDSACASA-N 0 0 274.320 3.204 50 0 CGAARN CCCCCC(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000012404323 368611463 /nfs/dbraw/zinc/61/14/63/368611463.db2.gz SJXNHBGODWBXML-UHFFFAOYSA-N 0 0 276.380 3.344 50 0 CGAARN O=c1[nH]c2ccc(NCc3c(F)cccc3Cl)cc2[nH]1 ZINC000012428387 368613282 /nfs/dbraw/zinc/61/32/82/368613282.db2.gz DXYPMVLKMLGTTN-UHFFFAOYSA-N 0 0 291.713 3.261 50 0 CGAARN O=C(Nc1cccnc1)c1ccc(Cl)cc1F ZINC000012522426 368616128 /nfs/dbraw/zinc/61/61/28/368616128.db2.gz PDJOXUGDFGYVJS-UHFFFAOYSA-N 0 0 250.660 3.126 50 0 CGAARN O=C(CC1CCCC1)NCCCc1nc2ccccc2[nH]1 ZINC000012535590 368617263 /nfs/dbraw/zinc/61/72/63/368617263.db2.gz WFYBIOPRJVFEFI-UHFFFAOYSA-N 0 0 285.391 3.192 50 0 CGAARN O=C(Nc1ccc(-n2ccnc2)cc1)c1ccccc1F ZINC000012535607 368617300 /nfs/dbraw/zinc/61/73/00/368617300.db2.gz RRLBFZAIPSUIOF-UHFFFAOYSA-N 0 0 281.290 3.264 50 0 CGAARN O=C(Nc1cnc2ccccc2c1)c1cc(Cl)c[nH]1 ZINC000012545199 368618237 /nfs/dbraw/zinc/61/82/37/368618237.db2.gz IIQBBAKDHBNZTC-UHFFFAOYSA-N 0 0 271.707 3.469 50 0 CGAARN O=C(Cc1cccc2ccccc21)Nc1ccccn1 ZINC000012545097 368618513 /nfs/dbraw/zinc/61/85/13/368618513.db2.gz HKVZQCKVZNZKFJ-UHFFFAOYSA-N 0 0 262.312 3.416 50 0 CGAARN O=C(Cc1cccc2ccccc21)Nc1ncccc1O ZINC000012552799 368619929 /nfs/dbraw/zinc/61/99/29/368619929.db2.gz NYVZLCOELQTMDQ-UHFFFAOYSA-N 0 0 278.311 3.122 50 0 CGAARN CCCNC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000012608837 368621336 /nfs/dbraw/zinc/62/13/36/368621336.db2.gz QVOSVELBJQGTOS-UHFFFAOYSA-N 0 0 268.360 3.253 50 0 CGAARN C[C@@H]1CCCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)C1 ZINC000012661433 368622373 /nfs/dbraw/zinc/62/23/73/368622373.db2.gz HKIBCRLHCNTBQH-OAUYIBNBSA-N 0 0 277.408 3.030 50 0 biogenic CGAARN O=C(Nc1nc2c(s1)CCC2)c1cc(F)cc(F)c1 ZINC000012775713 368626107 /nfs/dbraw/zinc/62/61/07/368626107.db2.gz URRPCXISDVLEPH-UHFFFAOYSA-N 0 0 280.299 3.162 50 0 CGAARN CCc1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000012809130 368627657 /nfs/dbraw/zinc/62/76/57/368627657.db2.gz VIBIZDBYYCFDPQ-UHFFFAOYSA-N 0 0 295.338 3.353 50 0 CGAARN Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cn1 ZINC000012818156 368629493 /nfs/dbraw/zinc/62/94/93/368629493.db2.gz ZXDGGLSAVZNIHF-UHFFFAOYSA-N 0 0 275.377 3.396 50 0 CGAARN CC(C)Sc1nnc(NCc2ccco2)s1 ZINC000012811932 368629841 /nfs/dbraw/zinc/62/98/41/368629841.db2.gz SSSFWAMIHBFZRY-UHFFFAOYSA-N 0 0 255.368 3.244 50 0 CGAARN O=C(C[C@@H]1C=CCC1)NCCc1c[nH]c2ccccc12 ZINC000012874203 368630247 /nfs/dbraw/zinc/63/02/47/368630247.db2.gz KLNUZQLWUKKGGG-CYBMUJFWSA-N 0 0 268.360 3.183 50 0 CGAARN Cc1scc(C(=O)Nc2nnc(C3CC3)s2)c1C ZINC000013746607 368666313 /nfs/dbraw/zinc/66/63/13/368666313.db2.gz LJNFHBPYSYYEJF-UHFFFAOYSA-N 0 0 279.390 3.346 50 0 CGAARN Cc1cc(C)n(CCC(=O)Nc2ccccc2Cl)n1 ZINC000012865322 368631126 /nfs/dbraw/zinc/63/11/26/368631126.db2.gz GIURTWDMRXQPKL-UHFFFAOYSA-N 0 0 277.755 3.182 50 0 CGAARN CCC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000012891021 368632021 /nfs/dbraw/zinc/63/20/21/368632021.db2.gz PFBMSQAQABEBDT-UHFFFAOYSA-N 0 0 283.437 3.451 50 0 CGAARN Cc1nn(C)c(C)c1NC(=O)Cc1ccc2ccccc2c1 ZINC000012888003 368632492 /nfs/dbraw/zinc/63/24/92/368632492.db2.gz LIWAGCVWASKRTC-UHFFFAOYSA-N 0 0 293.370 3.371 50 0 CGAARN COc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1O ZINC000012914231 368633341 /nfs/dbraw/zinc/63/33/41/368633341.db2.gz PLVKLIVCKAWIOJ-JSGCOSHPSA-N 0 0 289.375 3.196 50 0 CGAARN COc1ccc(NC(=O)NCCC2CCCC2)cc1 ZINC000012924572 368634700 /nfs/dbraw/zinc/63/47/00/368634700.db2.gz LGCNSKFBIXNLJT-UHFFFAOYSA-N 0 0 262.353 3.397 50 0 CGAARN Cc1cc(C(=O)Nc2ccc(Cl)cn2)c(C)o1 ZINC000013746877 368666559 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/nfs/dbraw/zinc/19/44/08/346194408.db2.gz WTPXBYAWXSTPLY-CYBMUJFWSA-N 0 0 299.403 3.415 50 0 CGAARN Cc1ccc(NC(=O)Nc2ccc(O)cc2C)cn1 ZINC000170604281 346194769 /nfs/dbraw/zinc/19/47/69/346194769.db2.gz GHATYCWCHBPGGT-UHFFFAOYSA-N 0 0 257.293 3.048 50 0 CGAARN COc1ccc(F)c(NC(=O)Nc2ccnn2C(C)C)c1 ZINC000170617021 346195571 /nfs/dbraw/zinc/19/55/71/346195571.db2.gz FPJNXLSCCHKXLA-UHFFFAOYSA-N 0 0 292.314 3.256 50 0 CGAARN C[C@@H]1CCC[C@@H](CC(=O)NCC2(O)CCCCCC2)C1 ZINC000170633125 346196227 /nfs/dbraw/zinc/19/62/27/346196227.db2.gz HKARKNGAQDZRRP-HUUCEWRRSA-N 0 0 281.440 3.404 50 0 CGAARN CO[C@@H]1CCCCC[C@H]1Nc1c(F)c(F)nc(F)c1F ZINC000170660333 346196463 /nfs/dbraw/zinc/19/64/63/346196463.db2.gz UTOPCVYIKBLSCL-HTQZYQBOSA-N 0 0 292.276 3.398 50 0 CGAARN C[C@H](C(=O)Nc1ccc2c(c1)CCCN2)c1cccnc1 ZINC000179034594 346252943 /nfs/dbraw/zinc/25/29/43/346252943.db2.gz LJHBNFDYVCVFFC-LBPRGKRZSA-N 0 0 281.359 3.182 50 0 CGAARN Cc1csc([C@H](C)OC(=O)c2occc2C)n1 ZINC000195572014 346273960 /nfs/dbraw/zinc/27/39/60/346273960.db2.gz BCUDSFJVKGQNFA-VIFPVBQESA-N 0 0 251.307 3.271 50 0 CGAARN Cc1nc(C)c(C(=O)NC[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000097757936 185662325 /nfs/dbraw/zinc/66/23/25/185662325.db2.gz DOXBLVFVMUUVMV-SECBINFHSA-N 0 0 292.766 3.478 50 0 CGAARN COC(=O)c1cccc(-c2cc(F)ccc2OC)c1 ZINC000097757312 185662409 /nfs/dbraw/zinc/66/24/09/185662409.db2.gz HLYXYKGLCKJHHU-UHFFFAOYSA-N 0 0 260.264 3.288 50 0 CGAARN O=C(CCCO)Nc1ccc(Oc2ccccc2)cc1 ZINC000085430335 179059895 /nfs/dbraw/zinc/05/98/95/179059895.db2.gz SYNBLHNMBIOJGH-UHFFFAOYSA-N 0 0 271.316 3.190 50 0 CGAARN O=C(/C=C\c1ccco1)NCc1ncc(-c2ccccc2)o1 ZINC000098055092 185678168 /nfs/dbraw/zinc/67/81/68/185678168.db2.gz SKEPXPMSVPYYPM-HJWRWDBZSA-N 0 0 294.310 3.264 50 0 CGAARN C[C@H](CC[C@H]1CCCO1)NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000248017372 346373616 /nfs/dbraw/zinc/37/36/16/346373616.db2.gz LDIQDBNCHDTLCV-FPCVCCKLSA-N 0 0 297.439 3.046 50 0 CGAARN COc1ccc(F)c(NC(=O)c2ccc(Cl)cn2)c1 ZINC000098019073 185674405 /nfs/dbraw/zinc/67/44/05/185674405.db2.gz UTYQNBBLNCVSLK-UHFFFAOYSA-N 0 0 280.686 3.135 50 0 CGAARN Brc1cnccc1OCc1ccccc1 ZINC000085471725 179077202 /nfs/dbraw/zinc/07/72/02/179077202.db2.gz WYXHPRLZHHYGQN-UHFFFAOYSA-N 0 0 264.122 3.423 50 0 CGAARN C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100562301 185720080 /nfs/dbraw/zinc/72/00/80/185720080.db2.gz PUKRDCGVHPWFQD-CJNGLKHVSA-N 0 0 279.339 3.370 50 0 CGAARN Cc1ncn(C)c1C(=O)N(C)Cc1cc2ccccc2s1 ZINC000584884224 346721329 /nfs/dbraw/zinc/72/13/29/346721329.db2.gz RCAWMUHNYLXCKT-UHFFFAOYSA-N 0 0 299.399 3.215 50 0 CGAARN O=C(C[C@H]1C=CCC1)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000584890699 346721969 /nfs/dbraw/zinc/72/19/69/346721969.db2.gz QOEKMQFSDGLQHZ-LBPRGKRZSA-N 0 0 299.349 3.188 50 0 CGAARN CCCc1cc2c(ncn(Cc3ccoc3)c2=O)s1 ZINC000584888799 346722293 /nfs/dbraw/zinc/72/22/93/346722293.db2.gz SFFUWBIKHMGAAT-UHFFFAOYSA-N 0 0 274.345 3.052 50 0 CGAARN CC[C@H](c1ncccc1C)n1cnc2cc(C)ccc2c1=O ZINC000584901226 346723831 /nfs/dbraw/zinc/72/38/31/346723831.db2.gz UZFDQNXTENRKCA-MRXNPFEDSA-N 0 0 293.370 3.408 50 0 CGAARN C=CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000585141952 346725313 /nfs/dbraw/zinc/72/53/13/346725313.db2.gz JQGZMCSJUJXGCX-AWEZNQCLSA-N 0 0 281.359 3.235 50 0 CGAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)n2ncnc2n1 ZINC000085945226 179203448 /nfs/dbraw/zinc/20/34/48/179203448.db2.gz BJOICLLDCYRFSM-UHFFFAOYSA-N 0 0 293.252 3.195 50 0 CGAARN Cc1ncc(CNC(=O)N([C@@H](C)C(C)C)C2CC2)s1 ZINC000086371475 179278368 /nfs/dbraw/zinc/27/83/68/179278368.db2.gz RNXWJQDMWXPVMI-JTQLQIEISA-N 0 0 281.425 3.170 50 0 CGAARN Cc1c(N)c(OCC(C)(F)F)ccc1Br ZINC000606304479 348174259 /nfs/dbraw/zinc/17/42/59/348174259.db2.gz FQSWLEUFWBKMNC-UHFFFAOYSA-N 0 0 280.112 3.374 50 0 CGAARN C/C=C\c1ccc(OCCC(C)(C)O)c(OC)c1 ZINC000104263985 185947625 /nfs/dbraw/zinc/94/76/25/185947625.db2.gz BBRFLACPCRWUSF-WAYWQWQTSA-N 0 0 250.338 3.268 50 0 CGAARN CCn1ncc(C)c1NC(=O)Cc1cc(C)ccc1C ZINC000618441588 349084402 /nfs/dbraw/zinc/08/44/02/349084402.db2.gz OXMNJEZFGOOHRJ-UHFFFAOYSA-N 0 0 271.364 3.009 50 0 CGAARN COc1cc(Cl)c(C)cc1-n1cc(C2CC2)nn1 ZINC000618256748 349063886 /nfs/dbraw/zinc/06/38/86/349063886.db2.gz MEHHZTQMPPNCES-UHFFFAOYSA-N 0 0 263.728 3.115 50 0 CGAARN CCc1cnc(NC(=O)N2C[C@H](C)CC[C@H]2C)s1 ZINC000089289675 179764945 /nfs/dbraw/zinc/76/49/45/179764945.db2.gz BWFZFIKUECHDCF-NXEZZACHSA-N 0 0 267.398 3.358 50 0 CGAARN COc1ccccc1NCc1ccc(-n2cncn2)c(C)c1 ZINC000089591433 179825832 /nfs/dbraw/zinc/82/58/32/179825832.db2.gz WTPJADPVYQAQKJ-UHFFFAOYSA-N 0 0 294.358 3.196 50 0 CGAARN CN1C=N[C@](O)(c2ccccc2)c2cc(Cl)ccc21 ZINC000000083799 282671057 /nfs/dbraw/zinc/67/10/57/282671057.db2.gz CSBLLGPLUMFHQN-HNNXBMFYSA-N 0 0 272.735 3.012 50 0 CGAARN CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)on1 ZINC000091503924 180175488 /nfs/dbraw/zinc/17/54/88/180175488.db2.gz RDZUUPIVVCWFKD-OAHLLOKOSA-N 0 0 299.374 3.245 50 0 CGAARN Cc1cccc(CN2C[C@](C)(c3ccccc3)CCC2=O)n1 ZINC000091745762 180245226 /nfs/dbraw/zinc/24/52/26/180245226.db2.gz FVJAYKPKHBHXHB-LJQANCHMSA-N 0 0 294.398 3.470 50 0 CGAARN Cc1ccc(-c2noc(-c3csc(C(C)C)n3)n2)nn1 ZINC000092097862 180324133 /nfs/dbraw/zinc/32/41/33/180324133.db2.gz OCXZAIATILECMM-UHFFFAOYSA-N 0 0 287.348 3.082 50 0 CGAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C)c(OC)c1 ZINC000106819354 186137970 /nfs/dbraw/zinc/13/79/70/186137970.db2.gz XIOBFIKLBNVPAC-CQDKDKBSSA-N 0 0 289.375 3.023 50 0 CGAARN O=C(Nc1ccc(Br)cn1)Oc1ccccc1 ZINC000112668692 186515123 /nfs/dbraw/zinc/51/51/23/186515123.db2.gz PUBVIAHPSLGSFN-UHFFFAOYSA-N 0 0 293.120 3.455 50 0 CGAARN O=C(Nc1nccs1)N[C@H]1CCCc2ccccc21 ZINC000042736752 304018198 /nfs/dbraw/zinc/01/81/98/304018198.db2.gz BWWSOHCNDIIWSZ-LBPRGKRZSA-N 0 0 273.361 3.342 50 0 CGAARN CON(C)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000113285307 186569674 /nfs/dbraw/zinc/56/96/74/186569674.db2.gz AOZCUVCHCGNKHZ-UHFFFAOYSA-N 0 0 294.148 3.236 50 0 CGAARN CN(C)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000122746888 187049458 /nfs/dbraw/zinc/04/94/58/187049458.db2.gz RCHVODGVGWQVJG-UHFFFAOYSA-N 0 0 251.635 3.061 50 0 CGAARN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccncc1 ZINC000158253369 188365938 /nfs/dbraw/zinc/36/59/38/188365938.db2.gz YWOBNXJGHAZXQC-BBRMVZONSA-N 0 0 284.359 3.116 50 0 CGAARN Fc1cccc(-c2nn3c(nnc3C(F)(F)F)s2)c1 ZINC000004487461 283012751 /nfs/dbraw/zinc/01/27/51/283012751.db2.gz GXEVXVIDRZOSCP-UHFFFAOYSA-N 0 0 288.229 3.011 50 0 CGAARN c1cc2cc(-c3noc(CC4CCOCC4)n3)ccc2[nH]1 ZINC000273730862 192281822 /nfs/dbraw/zinc/28/18/22/192281822.db2.gz PBWLCANICOYFNB-UHFFFAOYSA-N 0 0 283.331 3.187 50 0 CGAARN Cc1nc(CNC(=O)c2ccc3ncccc3c2)sc1C ZINC000175346564 188946432 /nfs/dbraw/zinc/94/64/32/188946432.db2.gz VXFZNVVWKSMYKM-UHFFFAOYSA-N 0 0 297.383 3.238 50 0 CGAARN CN1c2cc(Br)ccc2NCC1(C)C ZINC000087261532 283261835 /nfs/dbraw/zinc/26/18/35/283261835.db2.gz MEYGGUOGVVTLFX-UHFFFAOYSA-N 0 0 255.159 3.089 50 0 CGAARN C[C@H]1Cc2cc(C=C3SC(=S)NC3=O)ccc2O1 ZINC000016810439 291161920 /nfs/dbraw/zinc/16/19/20/291161920.db2.gz ZTFFGGBARGYXIJ-KSRYWAHESA-N 0 0 277.370 3.339 50 0 CGAARN CC(C)(NCc1cc[nH]n1)c1ccccc1Br ZINC000179328456 189186617 /nfs/dbraw/zinc/18/66/17/189186617.db2.gz YMUCCNDYZWBQDR-UHFFFAOYSA-N 0 0 294.196 3.197 50 0 CGAARN Cc1cccc(C)c1NC(=O)NCC[C@H]1CCCOC1 ZINC000299801520 200879939 /nfs/dbraw/zinc/87/99/39/200879939.db2.gz ZQWQBVIUEGIEAQ-CQSZACIVSA-N 0 0 276.380 3.242 50 0 CGAARN CC1(C)[C@H](Nc2cncc(Br)c2)[C@H]2CCO[C@H]21 ZINC000301386860 200994165 /nfs/dbraw/zinc/99/41/65/200994165.db2.gz CVJMRTDGNZQYGZ-IJLUTSLNSA-N 0 0 297.196 3.070 50 0 CGAARN Nc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000002635296 169816755 /nfs/dbraw/zinc/81/67/55/169816755.db2.gz RNXAJKYJIXQVKV-UHFFFAOYSA-N 0 0 278.258 3.123 50 0 CGAARN Cc1cc(C(=O)N(Cc2cscn2)c2ccccc2)on1 ZINC000342478518 216366080 /nfs/dbraw/zinc/36/60/80/216366080.db2.gz JWBGHWSGHDMZOJ-UHFFFAOYSA-N 0 0 299.355 3.287 50 0 CGAARN C[C@@H](NC(=O)N(C)C1CCC1)c1ccccc1-n1cccn1 ZINC000095414437 296053245 /nfs/dbraw/zinc/05/32/45/296053245.db2.gz LYTJGSMSDXZPCP-CYBMUJFWSA-N 0 0 298.390 3.127 50 0 CGAARN COc1ccc(CC2N=NC(=S)N2c2ccccc2)cc1 ZINC000002584867 169814377 /nfs/dbraw/zinc/81/43/77/169814377.db2.gz LLSDYPMXBGFWOT-UHFFFAOYSA-N 0 0 297.383 3.155 50 0 CGAARN CC(C)c1nnc(COc2ccc([C@@H]3CCOC3)cc2)o1 ZINC000190293570 189560025 /nfs/dbraw/zinc/56/00/25/189560025.db2.gz LBMWGOIRWNRZEW-CYBMUJFWSA-N 0 0 288.347 3.276 50 0 CGAARN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCc2ccccc21 ZINC000000218222 296068179 /nfs/dbraw/zinc/06/81/79/296068179.db2.gz PLENZCKTBCOSLU-HZPDHXFCSA-N 0 0 263.340 3.379 50 0 CGAARN C[C@]1(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCCO1 ZINC000079069825 291370127 /nfs/dbraw/zinc/37/01/27/291370127.db2.gz POFRGXGEXYNXJZ-DZGCQCFKSA-N 0 0 279.767 3.013 50 0 CGAARN O=C(Cc1ccccc1F)N1CC[C@H](c2ccccc2)C1 ZINC000121531865 370870033 /nfs/dbraw/zinc/87/00/33/370870033.db2.gz OVQXODRNAKHRKI-INIZCTEOSA-N 0 0 283.346 3.384 50 0 CGAARN O=C(COCC(F)(F)F)N1CCC[C@H]1C1CCCCC1 ZINC000121494380 370866351 /nfs/dbraw/zinc/86/63/51/370866351.db2.gz VXUUORSUNGGYKX-LBPRGKRZSA-N 0 0 293.329 3.137 50 0 CGAARN CC1(C)C[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000121653029 370883053 /nfs/dbraw/zinc/88/30/53/370883053.db2.gz IHAJDJGIQHYZAE-VIFPVBQESA-N 0 0 255.720 3.141 50 0 CGAARN c1ccc(NCc2nc(-c3ccccc3)no2)cc1 ZINC000000203374 368313772 /nfs/dbraw/zinc/31/37/72/368313772.db2.gz KVZIUGGVUJTACY-UHFFFAOYSA-N 0 0 251.289 3.349 50 0 CGAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)n1 ZINC000000198357 368314467 /nfs/dbraw/zinc/31/44/67/368314467.db2.gz VPAGSMLGPQXYME-UHFFFAOYSA-N 0 0 277.368 3.051 50 0 CGAARN Cc1c(C)n(C)c2ccc(C(=O)NCc3ccccn3)cc12 ZINC000000205116 368315300 /nfs/dbraw/zinc/31/53/00/368315300.db2.gz XFXAXAWSNITJRL-UHFFFAOYSA-N 0 0 293.370 3.120 50 0 CGAARN Clc1ccccc1CN1CCN(c2ccccn2)CC1 ZINC000000207170 368315862 /nfs/dbraw/zinc/31/58/62/368315862.db2.gz HLYCTDSTKHSRAB-UHFFFAOYSA-N 0 0 287.794 3.057 50 0 CGAARN CN(C)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1 ZINC000000204821 368316013 /nfs/dbraw/zinc/31/60/13/368316013.db2.gz XHSIRQFMYOONNK-UHFFFAOYSA-N 0 0 298.371 3.010 50 0 CGAARN CCOC(=O)N1CCC(Nc2ccc(SC)cc2)CC1 ZINC000000227006 368320575 /nfs/dbraw/zinc/32/05/75/368320575.db2.gz WEADUUOSCQMGGI-UHFFFAOYSA-N 0 0 294.420 3.441 50 0 CGAARN Cc1ccccc1CC(=O)c1ccc(O)c(C)c1O ZINC000000239700 368321736 /nfs/dbraw/zinc/32/17/36/368321736.db2.gz KWMBRYDKQLGWFA-UHFFFAOYSA-N 0 0 256.301 3.140 50 0 biogenic CGAARN COc1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000000035930 368274294 /nfs/dbraw/zinc/27/42/94/368274294.db2.gz FNGLWMJALXLGOH-UHFFFAOYSA-N 0 0 259.280 3.016 50 0 biogenic CGAARN COc1ccc(OC)c(C(=O)c2coc3ccc(O)cc23)c1 ZINC000000036645 368274798 /nfs/dbraw/zinc/27/47/98/368274798.db2.gz ZZXSSXYHBWCWGF-UHFFFAOYSA-N 0 0 298.294 3.387 50 0 CGAARN O=C(c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000000041702 368275966 /nfs/dbraw/zinc/27/59/66/368275966.db2.gz WDQRRAGLRNSAHB-UHFFFAOYSA-N 0 0 274.703 3.342 50 0 CGAARN COc1ccc(-c2oc3ccccc3c(=O)c2OC)cc1 ZINC000000057663 368279352 /nfs/dbraw/zinc/27/93/52/368279352.db2.gz AFIUIJXKXMMNCK-UHFFFAOYSA-N 0 0 282.295 3.477 50 0 in-vitro CGAARN COc1ccc(C(=O)c2nccc3ccccc32)cc1 ZINC000000064907 368280947 /nfs/dbraw/zinc/28/09/47/368280947.db2.gz AEHSAUPWRMSRNX-UHFFFAOYSA-N 0 0 263.296 3.474 50 0 CGAARN CC[C@H]1CCCCN1C(=S)NC(=O)C1CCCCC1 ZINC000000067533 368281727 /nfs/dbraw/zinc/28/17/27/368281727.db2.gz CKEWMMSWPARRSQ-ZDUSSCGKSA-N 0 0 282.453 3.232 50 0 CGAARN COc1ccc(C(=O)c2oc3ccccc3c2N)cc1 ZINC000000065082 368281841 /nfs/dbraw/zinc/28/18/41/368281841.db2.gz BLZJBFVSORKWST-UHFFFAOYSA-N 0 0 267.284 3.255 50 0 biogenic CGAARN c1nnc2c3cc(-c4ccccc4)sc3ncn12 ZINC000000072460 368282654 /nfs/dbraw/zinc/28/26/54/368282654.db2.gz DQHOAMHRAVZHMM-UHFFFAOYSA-N 0 0 252.302 3.006 50 0 CGAARN CC(=O)Nc1ccc(-c2ccc(NC(C)=O)cc2)cc1 ZINC000000086021 368285268 /nfs/dbraw/zinc/28/52/68/368285268.db2.gz CZVHCFKUXGRABC-UHFFFAOYSA-N 0 0 268.316 3.270 50 0 in-vitro CGAARN CC(=O)c1ccc(C=CC(=O)Nc2ccccc2)o1 ZINC000000086989 368285390 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Cc1ccccc1C(=O)Nc1ccccc1Cn1cccn1 ZINC000040088024 174187833 /nfs/dbraw/zinc/18/78/33/174187833.db2.gz SXOZZQLGVHTBBH-UHFFFAOYSA-N 0 0 291.354 3.492 50 0 CGAARN O=C(NCc1ccsc1-n1cccc1)Nc1cccnc1 ZINC000040156439 174194412 /nfs/dbraw/zinc/19/44/12/174194412.db2.gz GCHYGFOJOQSGTH-UHFFFAOYSA-N 0 0 298.371 3.256 50 0 CGAARN COc1cccc(NC(=O)c2cc3occc3n2C)c1 ZINC000040286799 174219714 /nfs/dbraw/zinc/21/97/14/174219714.db2.gz UKOYOWQMIPAETB-UHFFFAOYSA-N 0 0 270.288 3.032 50 0 CGAARN O=C1Nc2ccccc2[C@H]1Cc1cccc2[nH]ccc21 ZINC000040312919 174231830 /nfs/dbraw/zinc/23/18/30/174231830.db2.gz FXEJOLLRGMPTTP-CQSZACIVSA-N 0 0 262.312 3.446 50 0 biogenic CGAARN Cc1nc(Cl)c(N)c(Oc2ccc3c(c2)CCC3)n1 ZINC000040428522 174258675 /nfs/dbraw/zinc/25/86/75/174258675.db2.gz YUAOMTMDNFKOOM-UHFFFAOYSA-N 0 0 275.739 3.302 50 0 CGAARN CCOC(=O)c1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000040457257 174268130 /nfs/dbraw/zinc/26/81/30/174268130.db2.gz FCAZBVSMQZUCQB-UHFFFAOYSA-N 0 0 272.348 3.347 50 0 CGAARN COCc1cccc(C(=O)N(Cc2ccccn2)C2CC2)c1 ZINC000040465416 174274558 /nfs/dbraw/zinc/27/45/58/174274558.db2.gz FFZFEXFPBPXBPW-UHFFFAOYSA-N 0 0 296.370 3.033 50 0 CGAARN Cc1cc2ncn(CC(=O)N[C@H](C)c3ccco3)c2cc1C ZINC000040473922 174282178 /nfs/dbraw/zinc/28/21/78/174282178.db2.gz CTLNZASALBROOO-CYBMUJFWSA-N 0 0 297.358 3.124 50 0 CGAARN Cc1cc(CSc2nnc(-c3cccs3)o2)on1 ZINC000040481075 174285384 /nfs/dbraw/zinc/28/53/84/174285384.db2.gz ZKQSMGIXJFMCIG-UHFFFAOYSA-N 0 0 279.346 3.387 50 0 CGAARN CCc1noc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000040489671 174290867 /nfs/dbraw/zinc/29/08/67/174290867.db2.gz RBYHVCPBLCPTEK-VIFPVBQESA-N 0 0 281.306 3.103 50 0 CGAARN O=C(/C=C/c1cccnc1)NCc1ccccc1Cl ZINC000040489888 174291499 /nfs/dbraw/zinc/29/14/99/174291499.db2.gz QJXWSGSEUZQEAU-BQYQJAHWSA-N 0 0 272.735 3.065 50 0 CGAARN C[C@@H]1CCCCN1C(=O)c1coc(Br)c1 ZINC000040497879 174295626 /nfs/dbraw/zinc/29/56/26/174295626.db2.gz MPZXHQQIEMQGHO-MRVPVSSYSA-N 0 0 272.142 3.057 50 0 CGAARN O=C(NCc1ccc(Cl)s1)Nc1cccnc1 ZINC000040498778 174295800 /nfs/dbraw/zinc/29/58/00/174295800.db2.gz QISMPYFQPZVILE-UHFFFAOYSA-N 0 0 267.741 3.118 50 0 CGAARN CCc1cc(C(=O)N(C)Cc2cc(C)on2)sc1C ZINC000040505431 174301516 /nfs/dbraw/zinc/30/15/16/174301516.db2.gz UJIDVUCMTNGDFG-UHFFFAOYSA-N 0 0 278.377 3.188 50 0 CGAARN Cc1cccc(NC(=O)CCc2nc(C(C)C)no2)c1C ZINC000040513863 174305907 /nfs/dbraw/zinc/30/59/07/174305907.db2.gz JBGOGVKMPWXVEJ-UHFFFAOYSA-N 0 0 287.363 3.381 50 0 CGAARN O=C(NCc1ccco1)c1sccc1Br ZINC000040540084 174322192 /nfs/dbraw/zinc/32/21/92/174322192.db2.gz JTWIHRQBPHUPKF-UHFFFAOYSA-N 0 0 286.150 3.034 50 0 CGAARN Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccccc1C ZINC000040553322 174330096 /nfs/dbraw/zinc/33/00/96/174330096.db2.gz GAHVXLABFUUWSP-UHFFFAOYSA-N 0 0 299.418 3.493 50 0 CGAARN Cc1cccc2c1cnn2CCC(=O)N1CCCCCC1 ZINC000040758330 174396798 /nfs/dbraw/zinc/39/67/98/174396798.db2.gz NJYZOTHZQSNIJH-UHFFFAOYSA-N 0 0 285.391 3.137 50 0 CGAARN Cc1cc(Br)cnc1N(C)CC1CCOCC1 ZINC000042783648 174879403 /nfs/dbraw/zinc/87/94/03/174879403.db2.gz ZBCVSWWSLOEGRZ-UHFFFAOYSA-N 0 0 299.212 3.015 50 0 CGAARN COc1ccc([C@@H]2CCCN2C(=O)NCC(C)C)cc1 ZINC000042947757 174922932 /nfs/dbraw/zinc/92/29/32/174922932.db2.gz XQKNVAURHHKDOT-HNNXBMFYSA-N 0 0 276.380 3.198 50 0 CGAARN O=C(c1ccc(C2OCCO2)cc1)c1cc(F)cc(F)c1 ZINC000043212694 174984696 /nfs/dbraw/zinc/98/46/96/174984696.db2.gz FWDIRAWQEWAMLH-UHFFFAOYSA-N 0 0 290.265 3.241 50 0 CGAARN C[C@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccccc1 ZINC000043360434 175023961 /nfs/dbraw/zinc/02/39/61/175023961.db2.gz SUHVVGWHHCTORF-VIFPVBQESA-N 0 0 288.376 3.298 50 0 CGAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000015662382 287296555 /nfs/dbraw/zinc/29/65/55/287296555.db2.gz CAOPRYUDNXTMLC-DGFSRKRXSA-N 0 0 293.794 3.338 50 0 CGAARN CCOC(=O)c1cnc(-c2cccc(F)c2)s1 ZINC000044136731 175145974 /nfs/dbraw/zinc/14/59/74/175145974.db2.gz PIIGTUHXTVQOFW-UHFFFAOYSA-N 0 0 251.282 3.126 50 0 CGAARN CCC(=O)Nc1ccc(NC(=O)c2ccsc2)cc1 ZINC000044792809 175254349 /nfs/dbraw/zinc/25/43/49/175254349.db2.gz WPBDXNDLSRRJCI-UHFFFAOYSA-N 0 0 274.345 3.349 50 0 CGAARN COc1ccc(CCSc2nncn2C(C)C)cc1 ZINC000044865550 175267566 /nfs/dbraw/zinc/26/75/66/175267566.db2.gz KPXWUAOEISEPGU-UHFFFAOYSA-N 0 0 277.393 3.202 50 0 CGAARN Cc1cccc(OCc2nnc(SC(C)C)o2)c1 ZINC000044865542 175267701 /nfs/dbraw/zinc/26/77/01/175267701.db2.gz CGDAWZDNYQWOOF-UHFFFAOYSA-N 0 0 264.350 3.458 50 0 CGAARN Cc1cccnc1NC(=O)COCc1ccccc1Cl ZINC000044907958 175274945 /nfs/dbraw/zinc/27/49/45/175274945.db2.gz PGKVTTWKRRJIHK-UHFFFAOYSA-N 0 0 290.750 3.199 50 0 CGAARN COc1cccc(C(=O)c2ccc(C(C)C)cc2)n1 ZINC000045028740 175293761 /nfs/dbraw/zinc/29/37/61/175293761.db2.gz KOUISMZZDQEFBS-UHFFFAOYSA-N 0 0 255.317 3.445 50 0 CGAARN Cc1ccncc1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000045029049 175293904 /nfs/dbraw/zinc/29/39/04/175293904.db2.gz UWOLUKAINNTPKK-UHFFFAOYSA-N 0 0 287.187 3.317 50 0 CGAARN Cc1ccc(C(=O)c2cccc(Br)c2)cn1 ZINC000045029067 175293929 /nfs/dbraw/zinc/29/39/29/175293929.db2.gz 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BWHORBPLQSOGKC-UHFFFAOYSA-N 0 0 291.232 3.141 50 0 CGAARN C[C@H](Cc1ccsc1)n1ccnc1-c1nccn1C ZINC000071771360 176262309 /nfs/dbraw/zinc/26/23/09/176262309.db2.gz LBRSBYCXSNDUAO-LLVKDONJSA-N 0 0 272.377 3.149 50 0 CGAARN O=C(Cn1cccn1)Nc1ccc(NC2CCCCC2)cc1 ZINC000071850356 176276853 /nfs/dbraw/zinc/27/68/53/176276853.db2.gz NMSGCVOXOFGRPW-UHFFFAOYSA-N 0 0 298.390 3.266 50 0 CGAARN Cc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000071855262 176277929 /nfs/dbraw/zinc/27/79/29/176277929.db2.gz WAPKEXKCHGFALB-UHFFFAOYSA-N 0 0 278.421 3.348 50 0 CGAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000248007970 287315852 /nfs/dbraw/zinc/31/58/52/287315852.db2.gz WNXMHLAOSUBYAF-UXIGCNINSA-N 0 0 275.417 3.398 50 0 CGAARN O=C(CCc1cccnc1)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000071888156 176290205 /nfs/dbraw/zinc/29/02/05/176290205.db2.gz ZCMXRDAICQLPHS-GOSISDBHSA-N 0 0 298.361 3.421 50 0 CGAARN Cc1noc2ncc(-c3nnc(CC(C)(C)C)o3)cc12 ZINC000071889548 176290991 /nfs/dbraw/zinc/29/09/91/176290991.db2.gz 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CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2)c1C ZINC000000429451 368363978 /nfs/dbraw/zinc/36/39/78/368363978.db2.gz NWJZOYIXUISPJZ-UHFFFAOYSA-N 0 0 284.359 3.106 50 0 CGAARN COc1ccc(NC(=O)/C=C/c2cccs2)c(OC)c1 ZINC000000433142 368365038 /nfs/dbraw/zinc/36/50/38/368365038.db2.gz VUBXZUCNDLHFLO-SOFGYWHQSA-N 0 0 289.356 3.417 50 0 CGAARN COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(OC)c1 ZINC000000433185 368365488 /nfs/dbraw/zinc/36/54/88/368365488.db2.gz CEKUNWUXBYSWNB-GJZGRUSLSA-N 0 0 297.354 3.446 50 0 CGAARN CCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000000878079 368397717 /nfs/dbraw/zinc/39/77/17/368397717.db2.gz GALZDIDYXWYZAK-UHFFFAOYSA-N 0 0 274.345 3.349 50 0 CGAARN Cc1cc(C)c(OCC(=O)Nc2nccs2)cc1C ZINC000000470801 368374353 /nfs/dbraw/zinc/37/43/53/368374353.db2.gz XQPPXQHHCJRRFT-UHFFFAOYSA-N 0 0 276.361 3.086 50 0 CGAARN Cc1nnc(NC(=O)/C=C/c2c(F)cccc2Cl)s1 ZINC000000476141 368375689 /nfs/dbraw/zinc/37/56/89/368375689.db2.gz XRMGQNDMXYUGBA-AATRIKPKSA-N 0 0 297.742 3.291 50 0 CGAARN CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000000480295 368376765 /nfs/dbraw/zinc/37/67/65/368376765.db2.gz VEEPAGJZCIEIJB-UHFFFAOYSA-N 0 0 297.376 3.372 50 0 CGAARN COc1cc(C(=O)NC(C)(C)C)ccc1OC(C)C ZINC000000477133 368377157 /nfs/dbraw/zinc/37/71/57/368377157.db2.gz LGMKPMOWDWCUDD-UHFFFAOYSA-N 0 0 265.353 3.011 50 0 CGAARN CCNc1ccccc1C(=O)OCC(=O)c1ccccc1 ZINC000000482337 368377722 /nfs/dbraw/zinc/37/77/22/368377722.db2.gz QQHZKXFGLKKWFS-UHFFFAOYSA-N 0 0 283.327 3.158 50 0 CGAARN O=C1CCC(=O)N1CC[C@H](Cc1ccccc1)c1ccco1 ZINC000000489266 368378948 /nfs/dbraw/zinc/37/89/48/368378948.db2.gz AVODPXAQEYUXGX-OAHLLOKOSA-N 0 0 297.354 3.145 50 0 biogenic CGAARN COc1ccc(C=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000000501043 368380211 /nfs/dbraw/zinc/38/02/11/368380211.db2.gz QYNVGINSVSUULG-UHFFFAOYSA-N 0 0 299.326 3.045 50 0 CGAARN Cc1ccc(-c2nc(-c3cccnc3)no2)c(C)c1 ZINC000000514652 368381631 /nfs/dbraw/zinc/38/16/31/368381631.db2.gz FNTAPUUITKZFQZ-UHFFFAOYSA-N 0 0 251.289 3.415 50 0 CGAARN O=C(CCc1ccccc1)Nc1cccnc1Cl ZINC000000522881 368382438 /nfs/dbraw/zinc/38/24/38/368382438.db2.gz SOQUGEVGUWQIGW-UHFFFAOYSA-N 0 0 260.724 3.306 50 0 CGAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(C)cc(C)n2)C1(C)C ZINC000000519615 368383009 /nfs/dbraw/zinc/38/30/09/368383009.db2.gz NELGTHOYYHGRPZ-CHWSQXEVSA-N 0 0 273.380 3.270 50 0 biogenic CGAARN c1coc(-c2nnc3sc(-c4ccccc4)nn32)c1 ZINC000000531517 368384265 /nfs/dbraw/zinc/38/42/65/368384265.db2.gz AMSXPBLSQAXKBO-UHFFFAOYSA-N 0 0 268.301 3.113 50 0 CGAARN CCC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 ZINC000000536091 368385268 /nfs/dbraw/zinc/38/52/68/368385268.db2.gz XLPBLTWDISSMQA-CYBMUJFWSA-N 0 0 283.331 3.427 50 0 CGAARN Cc1nc2ccc(NC(=O)c3cccnc3)cc2s1 ZINC000001009773 368399724 /nfs/dbraw/zinc/39/97/24/368399724.db2.gz RYRYIKOJOIOISX-UHFFFAOYSA-N 0 0 269.329 3.252 50 0 CGAARN CCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000000546701 368386984 /nfs/dbraw/zinc/38/69/84/368386984.db2.gz XXEINOAXVCSORE-UHFFFAOYSA-N 0 0 289.356 3.486 50 0 CGAARN COC(=O)c1cc(NC(=O)c2ccccc2)ccc1Cl ZINC000000563101 368387769 /nfs/dbraw/zinc/38/77/69/368387769.db2.gz RMUCKWZZPLZFOZ-UHFFFAOYSA-N 0 0 289.718 3.379 50 0 CGAARN Cc1cccc(OCCn2cnc3ccccc32)c1 ZINC000000572576 368388663 /nfs/dbraw/zinc/38/86/63/368388663.db2.gz HHXSTZSRZFEUPO-UHFFFAOYSA-N 0 0 252.317 3.424 50 0 CGAARN CCC[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000000571575 368388746 /nfs/dbraw/zinc/38/87/46/368388746.db2.gz XNKGUBRNYNBODF-GFCCVEGCSA-N 0 0 277.389 3.307 50 0 CGAARN COc1cccc(/C=C2/C(=O)Nc3ccccc32)c1 ZINC000000574908 368388817 /nfs/dbraw/zinc/38/88/17/368388817.db2.gz MHRZFGCBDUQDNL-GXDHUFHOSA-N 0 0 251.285 3.188 50 0 CGAARN COc1ccc(NC(=O)Cn2ccc3ccccc32)cc1 ZINC000000581698 368390335 /nfs/dbraw/zinc/39/03/35/368390335.db2.gz IUVURYQMGUPZIG-UHFFFAOYSA-N 0 0 280.327 3.289 50 0 CGAARN O=C(NCc1cccs1)Nc1ccc(F)cc1F ZINC000000609167 368390900 /nfs/dbraw/zinc/39/09/00/368390900.db2.gz NKFNFYWANUFZSV-UHFFFAOYSA-N 0 0 268.288 3.348 50 0 CGAARN COc1ccc(C)cc1NC(=O)NCc1ccccc1F 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/nfs/dbraw/zinc/45/16/84/368451684.db2.gz PBXSQNBBISOAKR-UHFFFAOYSA-N 0 0 288.372 3.295 50 0 CGAARN OCCNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000002291511 368451926 /nfs/dbraw/zinc/45/19/26/368451926.db2.gz YKQYBJKPSXUFHR-UHFFFAOYSA-N 0 0 299.761 3.354 50 0 CGAARN CCc1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 ZINC000002430990 368454855 /nfs/dbraw/zinc/45/48/55/368454855.db2.gz YQFZQMISIVSUAT-MRVPVSSYSA-N 0 0 272.377 3.026 50 0 CGAARN CCCC(=O)NCCCc1nc2ccccc2n1CCC ZINC000002460926 368455362 /nfs/dbraw/zinc/45/53/62/368455362.db2.gz VFXBPYQMKFBOTM-UHFFFAOYSA-N 0 0 287.407 3.295 50 0 CGAARN O=C(Nc1cc(Cl)ccc1O)c1cc(C2CC2)on1 ZINC000002465697 368455625 /nfs/dbraw/zinc/45/56/25/368455625.db2.gz MKPGWDCXSGATSQ-UHFFFAOYSA-N 0 0 278.695 3.163 50 0 CGAARN CCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000002472507 368456184 /nfs/dbraw/zinc/45/61/84/368456184.db2.gz HBCKHAOPSQZJIE-UHFFFAOYSA-N 0 0 295.342 3.190 50 0 CGAARN Cc1cccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000002762615 368476577 /nfs/dbraw/zinc/47/65/77/368476577.db2.gz XWPAYLRNQDROHG-CYBMUJFWSA-N 0 0 287.334 3.218 50 0 CGAARN O=C(c1ccc(F)c(F)c1)c1ccccc1CN1CCC1 ZINC000002515639 368459150 /nfs/dbraw/zinc/45/91/50/368459150.db2.gz ZRKIIWVYNKNIIY-UHFFFAOYSA-N 0 0 287.309 3.402 50 0 CGAARN FC(F)Oc1cccc(-c2cc[nH]c(=S)n2)c1 ZINC000002526610 368460411 /nfs/dbraw/zinc/46/04/11/368460411.db2.gz MWHSLYJTDDARRI-UHFFFAOYSA-N 0 0 254.261 3.408 50 0 CGAARN FC(F)(F)c1cc(-c2cccs2)nc2ccnn21 ZINC000002766508 368476827 /nfs/dbraw/zinc/47/68/27/368476827.db2.gz QWIWJHRBQSIHCR-UHFFFAOYSA-N 0 0 269.251 3.477 50 0 CGAARN Cc1csc(NC(=O)[C@H](C)Oc2ccc(C)cc2)n1 ZINC000002763056 368476838 /nfs/dbraw/zinc/47/68/38/368476838.db2.gz QJCVRLZBKWPVAB-NSHDSACASA-N 0 0 276.361 3.166 50 0 CGAARN FC(F)c1cc(-c2ccc3c(c2)OCO3)nc2ccnn21 ZINC000002766479 368476858 /nfs/dbraw/zinc/47/68/58/368476858.db2.gz OISDYGRGADKYKC-UHFFFAOYSA-N 0 0 289.241 3.063 50 0 CGAARN CN(C(=O)COc1nc2ccccc2s1)c1ccccc1 ZINC000002555388 368463213 /nfs/dbraw/zinc/46/32/13/368463213.db2.gz XIGAUIHYSDTJHW-UHFFFAOYSA-N 0 0 298.367 3.338 50 0 in-vitro CGAARN O=C(NC(=S)Nc1ccc(F)cc1F)c1cccs1 ZINC000002566715 368465231 /nfs/dbraw/zinc/46/52/31/368465231.db2.gz BZUXUFBIEQPKEP-UHFFFAOYSA-N 0 0 298.339 3.153 50 0 CGAARN Cc1cc(NC(=O)c2ccco2)n(-c2ccccc2)n1 ZINC000002584665 368468020 /nfs/dbraw/zinc/46/80/20/368468020.db2.gz GIYJFGYEEHEITI-UHFFFAOYSA-N 0 0 267.288 3.026 50 0 CGAARN Cc1ccc(NC(=O)CN2CCCC[C@H]2C)c(Cl)c1 ZINC000003296538 368500475 /nfs/dbraw/zinc/50/04/75/368500475.db2.gz QIKLYCGFSBDLNI-GFCCVEGCSA-N 0 0 280.799 3.461 50 0 CGAARN Cc1ccc([C@H](O)c2nnc(-c3ccccc3)o2)cc1 ZINC000003300689 368501480 /nfs/dbraw/zinc/50/14/80/368501480.db2.gz URQLRWAMVCAVLI-AWEZNQCLSA-N 0 0 266.300 3.127 50 0 CGAARN C[C@@H]1CCCN(CC(=O)c2ccc(Cl)s2)C1 ZINC000003306557 368501602 /nfs/dbraw/zinc/50/16/02/368501602.db2.gz WOUGHQBONCWTKF-SECBINFHSA-N 0 0 257.786 3.316 50 0 CGAARN COc1ccccc1CNC(=O)c1nc2ccccc2s1 ZINC000003329276 368502470 /nfs/dbraw/zinc/50/24/70/368502470.db2.gz JZRSOXXFUIVAER-UHFFFAOYSA-N 0 0 298.367 3.235 50 0 CGAARN CC(C)NC(=S)NCCc1ccc(Cl)cc1Cl ZINC000003338871 368502914 /nfs/dbraw/zinc/50/29/14/368502914.db2.gz DUXOZSVWOVZEOS-UHFFFAOYSA-N 0 0 291.247 3.408 50 0 CGAARN CCOC(=O)c1c(N)sc(C)c1C[C@H](C)CC ZINC000003336056 368502988 /nfs/dbraw/zinc/50/29/88/368502988.db2.gz NBUBHTUMNPLCSZ-MRVPVSSYSA-N 0 0 255.383 3.404 50 0 CGAARN Cc1cc(C(=O)Nc2nc3ccc(C)cc3s2)no1 ZINC000003347283 368503843 /nfs/dbraw/zinc/50/38/43/368503843.db2.gz KDLUWTVRWJWNQT-UHFFFAOYSA-N 0 0 273.317 3.153 50 0 CGAARN CCCOc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000002830060 368481125 /nfs/dbraw/zinc/48/11/25/368481125.db2.gz YDWPHFIHGDNAQY-UHFFFAOYSA-N 0 0 283.371 3.448 50 0 CGAARN O=C(NCCOc1ccc2ccccc2c1)c1cccnc1 ZINC000002846069 368481310 /nfs/dbraw/zinc/48/13/10/368481310.db2.gz OVWOZWXSQSYBIX-UHFFFAOYSA-N 0 0 292.338 3.044 50 0 CGAARN O=C(OCc1ccc(F)cc1Cl)c1ccccn1 ZINC000002860981 368482592 /nfs/dbraw/zinc/48/25/92/368482592.db2.gz NHYJOIHUYVBRRZ-UHFFFAOYSA-N 0 0 265.671 3.231 50 0 CGAARN Cc1cccc(C[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000002876997 368482630 /nfs/dbraw/zinc/48/26/30/368482630.db2.gz HHVMNYHNXNQESR-CQSZACIVSA-N 0 0 297.329 3.256 50 0 CGAARN COc1ccccc1C(=O)NCCOc1ccc(C)c(C)c1 ZINC000002905563 368485976 /nfs/dbraw/zinc/48/59/76/368485976.db2.gz XTVLOCITEHQERE-UHFFFAOYSA-N 0 0 299.370 3.121 50 0 CGAARN COn1c2cccnc2nc1-c1ccc(Cl)cc1Cl ZINC000003063444 368489448 /nfs/dbraw/zinc/48/94/48/368489448.db2.gz KRWMFLWIOUCCDA-UHFFFAOYSA-N 0 0 294.141 3.464 50 0 CGAARN O=C(Nc1nc2ccccc2s1)C(F)(F)C(F)(F)F ZINC000003156374 368493283 /nfs/dbraw/zinc/49/32/83/368493283.db2.gz QMMRIAKRIOYGDR-UHFFFAOYSA-N 0 0 296.220 3.432 50 0 CGAARN CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CCCCC1=O ZINC000003204118 368496389 /nfs/dbraw/zinc/49/63/89/368496389.db2.gz SEQXOXGNEPQESZ-DZGCQCFKSA-N 0 0 279.767 3.277 50 0 CGAARN O=C(CSC(=O)c1ccccc1)N1CCc2ccccc21 ZINC000003239053 368497244 /nfs/dbraw/zinc/49/72/44/368497244.db2.gz PUNKOTUBGCYSCO-UHFFFAOYSA-N 0 0 297.379 3.149 50 0 CGAARN O=C(NCCCc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000003899665 368523584 /nfs/dbraw/zinc/52/35/84/368523584.db2.gz DDGQZBVHWQUICN-UHFFFAOYSA-N 0 0 285.391 3.192 50 0 CGAARN CC(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1 ZINC000004164345 368534756 /nfs/dbraw/zinc/53/47/56/368534756.db2.gz BYKKWRDRMDIAPA-UHFFFAOYSA-N 0 0 288.351 3.431 50 0 CGAARN O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2ccccc21 ZINC000004026065 368526975 /nfs/dbraw/zinc/52/69/75/368526975.db2.gz UBZAWLKMTBKAHD-MRXNPFEDSA-N 0 0 282.295 3.164 50 0 biogenic CGAARN CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000004019534 368527326 /nfs/dbraw/zinc/52/73/26/368527326.db2.gz PADPIDHIIWQUDC-UHFFFAOYSA-N 0 0 299.370 3.066 50 0 CGAARN O[C@@H]1c2ccccc2OC/C1=C\c1ccccc1F ZINC000004050585 368528809 /nfs/dbraw/zinc/52/88/09/368528809.db2.gz GJYJXEUAXSRXAK-YHVDPYDOSA-N 0 0 256.276 3.335 50 0 CGAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccncc2)N3)C1 ZINC000004092289 368530066 /nfs/dbraw/zinc/53/00/66/368530066.db2.gz PBQVWAHADVFJTF-YMTOWFKASA-N 0 0 299.399 3.122 50 0 CGAARN O=C1c2ccccc2[C@@H]2SC[C@H](O)c3ccccc3CN12 ZINC000004109887 368531003 /nfs/dbraw/zinc/53/10/03/368531003.db2.gz AFHOTOVPJJKGHY-RDJZCZTQSA-N 0 0 297.379 3.121 50 0 CGAARN CC(C)(C)c1nnc(NC(=O)Cc2cccc(F)c2)s1 ZINC000004106960 368531553 /nfs/dbraw/zinc/53/15/53/368531553.db2.gz AXSSMDFQFGSHNW-UHFFFAOYSA-N 0 0 293.367 3.156 50 0 CGAARN CC(C)(C)c1nnc(NC(=O)Cc2ccccc2)s1 ZINC000004119302 368532583 /nfs/dbraw/zinc/53/25/83/368532583.db2.gz OILBHYUYZLSQKB-UHFFFAOYSA-N 0 0 275.377 3.017 50 0 CGAARN Cc1csc(SCC(=O)NCc2ccc(C)cc2)n1 ZINC000003413719 368505737 /nfs/dbraw/zinc/50/57/37/368505737.db2.gz JKHILJAZJGDUBE-UHFFFAOYSA-N 0 0 292.429 3.168 50 0 CGAARN Cc1ccc(CNC(=O)Cc2ccc(C)c(C)c2)cc1 ZINC000003408796 368505977 /nfs/dbraw/zinc/50/59/77/368505977.db2.gz PNSMDHGVWQNGMJ-UHFFFAOYSA-N 0 0 267.372 3.471 50 0 CGAARN c1cc(CSc2ncnc3sc4c(c32)CCC4)no1 ZINC000003453459 368508153 /nfs/dbraw/zinc/50/81/53/368508153.db2.gz VFITXRXZXMAJCT-UHFFFAOYSA-N 0 0 289.385 3.460 50 0 CGAARN Cc1nc(C)c(C(=O)Nc2ccc(Cl)cc2)o1 ZINC000004148073 368533992 /nfs/dbraw/zinc/53/39/92/368533992.db2.gz KPOYYRCATRSCPW-UHFFFAOYSA-N 0 0 250.685 3.197 50 0 CGAARN O=C(Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000003556180 368512689 /nfs/dbraw/zinc/51/26/89/368512689.db2.gz XJDADDAILHHGFN-UHFFFAOYSA-N 0 0 251.329 3.357 50 0 CGAARN COc1cccc(C(=O)Nc2cc(F)ccc2C)c1 ZINC000003566364 368514346 /nfs/dbraw/zinc/51/43/46/368514346.db2.gz ZTDSQSWILCYHOP-UHFFFAOYSA-N 0 0 259.280 3.395 50 0 CGAARN CC(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1 ZINC000003607386 368515167 /nfs/dbraw/zinc/51/51/67/368515167.db2.gz LYTYYEJORHHSNC-UHFFFAOYSA-N 0 0 287.290 3.046 50 0 CGAARN O=C(COc1cccc(F)c1)Nc1ccc(F)cc1F ZINC000003611269 368516730 /nfs/dbraw/zinc/51/67/30/368516730.db2.gz NMKWHAQIYOCTIV-UHFFFAOYSA-N 0 0 281.233 3.121 50 0 CGAARN CCCC[C@@]1(C)NC(=S)N(c2cccc(C)c2C)N1 ZINC000003671989 368517467 /nfs/dbraw/zinc/51/74/67/368517467.db2.gz DPCAHBQSYYVNLK-HNNXBMFYSA-N 0 0 277.437 3.409 50 0 CGAARN CCCC[C@@]1(C)NC(=S)N(c2ccc(C)cc2)N1 ZINC000003666291 368518222 /nfs/dbraw/zinc/51/82/22/368518222.db2.gz HSGGQCSKCHRQPA-AWEZNQCLSA-N 0 0 263.410 3.101 50 0 CGAARN CCOC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 ZINC000004628345 368553492 /nfs/dbraw/zinc/55/34/92/368553492.db2.gz VGYDRTFJGKUJFK-UHFFFAOYSA-N 0 0 297.376 3.372 50 0 CGAARN Cn1c(C(=O)N2CCc3ccccc3C2)cc2ccccc21 ZINC000004676055 368555372 /nfs/dbraw/zinc/55/53/72/368555372.db2.gz FFYQOFCUHASWIU-UHFFFAOYSA-N 0 0 290.366 3.377 50 0 CGAARN Cc1ccc(N2C(=O)Nc3ccccc3N2O)cc1C ZINC000005036974 368559499 /nfs/dbraw/zinc/55/94/99/368559499.db2.gz ABAJOMSIVKWJKM-UHFFFAOYSA-N 0 0 269.304 3.466 50 0 CGAARN COc1ccccc1N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000005393972 368561773 /nfs/dbraw/zinc/56/17/73/368561773.db2.gz KSLAKFCJGYODCV-INIZCTEOSA-N 0 0 286.419 3.174 50 0 CGAARN CCOc1cc2[nH]c(C(=O)OC)cc2c(OCC)c1C ZINC000004235114 368538430 /nfs/dbraw/zinc/53/84/30/368538430.db2.gz JPSDHBDRJRCCMU-UHFFFAOYSA-N 0 0 277.320 3.060 50 0 CGAARN CCOC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1 ZINC000004275339 368539761 /nfs/dbraw/zinc/53/97/61/368539761.db2.gz IQEZKOGXEAKDON-UHFFFAOYSA-N 0 0 292.360 3.068 50 0 CGAARN CC(=O)Nc1c2c(nn1-c1cc(C)cc(C)c1)CSC2 ZINC000004274451 368540127 /nfs/dbraw/zinc/54/01/27/368540127.db2.gz DGLZMGBZQKRJKL-UHFFFAOYSA-N 0 0 287.388 3.194 50 0 CGAARN CC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccco1 ZINC000004385063 368544955 /nfs/dbraw/zinc/54/49/55/368544955.db2.gz RXSPJQSQIPQCDV-UHFFFAOYSA-N 0 0 296.330 3.119 50 0 CGAARN Cc1cccc(OCCn2nnc3ccccc32)c1C ZINC000004487643 368547152 /nfs/dbraw/zinc/54/71/52/368547152.db2.gz BNWFAEHMZIGAPR-UHFFFAOYSA-N 0 0 267.332 3.127 50 0 CGAARN CCc1nnc(NC(=O)CCc2ccc(C)s2)s1 ZINC000004540269 368549594 /nfs/dbraw/zinc/54/95/94/368549594.db2.gz POSPTZDJKOQQEK-UHFFFAOYSA-N 0 0 281.406 3.042 50 0 CGAARN CCCCOc1ccc(-c2cc(C(=O)OCC)n[nH]2)cc1 ZINC000004517794 368549913 /nfs/dbraw/zinc/54/99/13/368549913.db2.gz LJDUIUOJSLVVBZ-UHFFFAOYSA-N 0 0 288.347 3.432 50 0 CGAARN O=C(Nc1ccccc1)C1=NO[C@H](c2ccccc2)C1 ZINC000004543017 368550878 /nfs/dbraw/zinc/55/08/78/368550878.db2.gz BDKIBPNHXICGBI-HNNXBMFYSA-N 0 0 266.300 3.143 50 0 CGAARN CCCNC(=O)N1C[C@@H](CC)Oc2ccc(Cl)cc21 ZINC000006843073 368570275 /nfs/dbraw/zinc/57/02/75/368570275.db2.gz DAKVQVOPPVHRPU-LLVKDONJSA-N 0 0 282.771 3.437 50 0 CGAARN O=Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000008702889 368573561 /nfs/dbraw/zinc/57/35/61/368573561.db2.gz PYYGJBYCDYEZJS-UHFFFAOYSA-N 0 0 268.154 3.252 50 0 CGAARN Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 ZINC000008793769 368575372 /nfs/dbraw/zinc/57/53/72/368575372.db2.gz ZQXIFKFLRXIWDN-UHFFFAOYSA-N 0 0 255.248 3.181 50 0 biogenic CGAARN Cc1ccc(-c2noc(Cn3cnc4ccccc43)n2)cc1 ZINC000009365728 368576564 /nfs/dbraw/zinc/57/65/64/368576564.db2.gz CQZIGCTWKUGENU-UHFFFAOYSA-N 0 0 290.326 3.443 50 0 CGAARN C[C@H](c1ccccc1)N(C)C(=O)Nn1cnc2ccccc21 ZINC000010404904 368581036 /nfs/dbraw/zinc/58/10/36/368581036.db2.gz YPUMSXAKIIHIAP-CYBMUJFWSA-N 0 0 294.358 3.393 50 0 CGAARN CC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000010470409 368582103 /nfs/dbraw/zinc/58/21/03/368582103.db2.gz KLBJJHWHHRHZKZ-UHFFFAOYSA-N 0 0 255.317 3.267 50 0 CGAARN Cc1ccccc1CC(=O)NCc1ccc(F)c(C)c1 ZINC000010551849 368583623 /nfs/dbraw/zinc/58/36/23/368583623.db2.gz DGUXTIPLWGFYPL-UHFFFAOYSA-N 0 0 271.335 3.301 50 0 CGAARN COc1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000010541887 368584027 /nfs/dbraw/zinc/58/40/27/368584027.db2.gz YINUBLOQAHZIQQ-UHFFFAOYSA-N 0 0 285.318 3.427 50 0 CGAARN Cc1cnc(NC(=O)CCC(=O)c2ccccc2)s1 ZINC000010556026 368585231 /nfs/dbraw/zinc/58/52/31/368585231.db2.gz FORIFHOTSXWJHG-UHFFFAOYSA-N 0 0 274.345 3.053 50 0 CGAARN COc1ccc(CC(=O)NCc2ccc(F)c(C)c2)cc1 ZINC000011009227 368587658 /nfs/dbraw/zinc/58/76/58/368587658.db2.gz WXVLONPMFPEUNE-UHFFFAOYSA-N 0 0 287.334 3.002 50 0 CGAARN Cc1ccc(C(=O)N2CCc3sccc3C2)cc1F ZINC000010924056 368587702 /nfs/dbraw/zinc/58/77/02/368587702.db2.gz CQSAQCFQGAGKAV-UHFFFAOYSA-N 0 0 275.348 3.394 50 0 CGAARN NC(=O)[C@H](SCc1ccccc1)c1ccccc1 ZINC000011238527 368589223 /nfs/dbraw/zinc/58/92/23/368589223.db2.gz CJDBPWJJDFGYOR-CQSZACIVSA-N 0 0 257.358 3.146 50 0 CGAARN CN1c2ccccc2C(=O)N[C@H]1c1ccc(Cl)s1 ZINC000011034653 368589603 /nfs/dbraw/zinc/58/96/03/368589603.db2.gz HNMHFFHFXCEXNH-GFCCVEGCSA-N 0 0 278.764 3.280 50 0 CGAARN CCCCc1nnc2sc(-c3ccccc3F)nn12 ZINC000011277909 368590513 /nfs/dbraw/zinc/59/05/13/368590513.db2.gz FUVWCGBVFWFXPR-UHFFFAOYSA-N 0 0 276.340 3.335 50 0 CGAARN C[C@@H](OC(=O)c1cccnc1)C(=O)c1ccc(Cl)cc1 ZINC000011565730 368591471 /nfs/dbraw/zinc/59/14/71/368591471.db2.gz CWFBWRMHVVSHCH-SNVBAGLBSA-N 0 0 289.718 3.163 50 0 CGAARN Cc1cc(NC(=O)CNc2ccccc2C(C)C)no1 ZINC000011621645 368592839 /nfs/dbraw/zinc/59/28/39/368592839.db2.gz XIYGGTMOZIWXBW-UHFFFAOYSA-N 0 0 273.336 3.157 50 0 CGAARN CCNC(=O)N1CCC[C@@H](CCc2ccc(OC)cc2)C1 ZINC000011662929 368593288 /nfs/dbraw/zinc/59/32/88/368593288.db2.gz IEJUNUIYMXEYNH-HNNXBMFYSA-N 0 0 290.407 3.069 50 0 CGAARN COc1ccc(-c2ccc(C)c(NC(=O)C(C)C)c2)nn1 ZINC000011694177 368594581 /nfs/dbraw/zinc/59/45/81/368594581.db2.gz XVVJIBFITKYKJK-UHFFFAOYSA-N 0 0 285.347 3.055 50 0 CGAARN O=C(Nc1ccc(N2CCCCCC2)cc1)C1CC1 ZINC000005689337 368565010 /nfs/dbraw/zinc/56/50/10/368565010.db2.gz OONIEAIQWOKQKM-UHFFFAOYSA-N 0 0 258.365 3.416 50 0 CGAARN Cc1c(C)c2c(O)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000006167195 368565590 /nfs/dbraw/zinc/56/55/90/368565590.db2.gz QPHGFQSZKMEASI-UHFFFAOYSA-N 0 0 274.316 3.219 50 0 biogenic CGAARN Cc1ccc([C@@H]2C[C@]23N=C(c2ccccc2)OC3=O)cc1 ZINC000006522703 368567080 /nfs/dbraw/zinc/56/70/80/368567080.db2.gz QDWWBWXQWXIJNT-YJBOKZPZSA-N 0 0 277.323 3.225 50 0 CGAARN O=C(NC1CCCCCC1)c1ccc[nH]c1=S ZINC000006505290 368567268 /nfs/dbraw/zinc/56/72/68/368567268.db2.gz HNVKPSDKBQBNDF-UHFFFAOYSA-N 0 0 250.367 3.197 50 0 CGAARN Cc1ccc(-c2csc(N3CCCC3=O)n2)cc1 ZINC000006508403 368567620 /nfs/dbraw/zinc/56/76/20/368567620.db2.gz BHWBSGJZWQKFIZ-UHFFFAOYSA-N 0 0 258.346 3.245 50 0 CGAARN CSc1ncccc1C(=O)NCC1(c2ccccc2)CC1 ZINC000011899250 368600087 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Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CCc1cccnc1 ZINC000098018354 281080723 /nfs/dbraw/zinc/08/07/23/281080723.db2.gz RYZPEJBLRAPCDS-CQSZACIVSA-N 0 0 296.370 3.137 50 0 CGAARN CCc1nsc(N[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000098020520 281577795 /nfs/dbraw/zinc/57/77/95/281577795.db2.gz WLROIWQNEXNPFW-SNVBAGLBSA-N 0 0 267.398 3.004 50 0 CGAARN CC1=N[C@@](O)(C23CC4CC(CC(C4)C2)C3)[C@H](C)S1 ZINC000004141065 281703729 /nfs/dbraw/zinc/70/37/29/281703729.db2.gz CDCNFGGNCPVMJS-MQOWOMBJSA-N 0 0 265.422 3.445 50 0 CGAARN CCn1c(S[C@H]2CC[C@@H](C)C2)nnc1-c1cnccn1 ZINC000549373263 289042190 /nfs/dbraw/zinc/04/21/90/289042190.db2.gz UXPKTAJNXKUHNL-MNOVXSKESA-N 0 0 289.408 3.036 50 0 CGAARN Cc1cccnc1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000044382373 292724801 /nfs/dbraw/zinc/72/48/01/292724801.db2.gz GJDRNXPJGIHSNK-OAHLLOKOSA-N 0 0 266.344 3.449 50 0 CGAARN C[C@H]1CCCN(c2ccc(Br)cc2N)C1 ZINC000019487386 290453657 /nfs/dbraw/zinc/45/36/57/290453657.db2.gz QGEZUBWMZLWVLN-VIFPVBQESA-N 0 0 269.186 3.268 50 0 CGAARN 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/nfs/dbraw/zinc/30/47/70/368304770.db2.gz ZJXSCVDERLYXLA-UHFFFAOYSA-N 0 0 269.369 3.368 50 0 CGAARN Ic1ccc(Oc2ccccc2)nc1 ZINC000000158923 368305416 /nfs/dbraw/zinc/30/54/16/368305416.db2.gz JCEXQQNAXWYXRX-UHFFFAOYSA-N 0 0 297.095 3.479 50 0 CGAARN Oc1ccc(O)c(Cc2nc3ccccc3s2)c1 ZINC000000167339 368307260 /nfs/dbraw/zinc/30/72/60/368307260.db2.gz ATJOCWHSJVOJDA-UHFFFAOYSA-N 0 0 257.314 3.298 50 0 CGAARN CCOC(=O)[C@@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000000173801 368309266 /nfs/dbraw/zinc/30/92/66/368309266.db2.gz GVNHSMZHSWFYMB-QGZVFWFLSA-N 0 0 282.339 3.145 50 0 CGAARN CC(C)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000174595 368309613 /nfs/dbraw/zinc/30/96/13/368309613.db2.gz WKJWHIPCPSPREK-UHFFFAOYSA-N 0 0 281.315 3.484 50 0 CGAARN O=C(Oc1ccccc1)Oc1ccc2oc(=O)sc2c1 ZINC000000190962 368312553 /nfs/dbraw/zinc/31/25/53/368312553.db2.gz QDHIEETZNKGURN-UHFFFAOYSA-N 0 0 288.280 3.432 50 0 biogenic CGAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000000444714 368367592 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Cc1nc2cc(NC(=O)c3ccccc3)ccc2n1C ZINC000000188671 368311730 /nfs/dbraw/zinc/31/17/30/368311730.db2.gz YUSQINFIOBCHFF-UHFFFAOYSA-N 0 0 265.316 3.134 50 0 CGAARN CC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000000450719 368368584 /nfs/dbraw/zinc/36/85/84/368368584.db2.gz PRSOGIXUXMWCJL-UHFFFAOYSA-N 0 0 289.828 3.299 50 0 CGAARN Cc1cccc(NC(=O)COc2ccccc2Cl)n1 ZINC000000455447 368369709 /nfs/dbraw/zinc/36/97/09/368369709.db2.gz PTIRMUMKVXZPBY-UHFFFAOYSA-N 0 0 276.723 3.061 50 0 CGAARN FC(F)(F)c1cccc(NC(=S)NC2CC2)c1 ZINC000000453753 368369986 /nfs/dbraw/zinc/36/99/86/368369986.db2.gz NNYSGPAKCPQLKE-UHFFFAOYSA-N 0 0 260.284 3.154 50 0 CGAARN C[C@H](CCc1ccccc1)NC(=O)Cc1ccccc1 ZINC000000453939 368370114 /nfs/dbraw/zinc/37/01/14/368370114.db2.gz WOCGROGRPWVPJP-OAHLLOKOSA-N 0 0 267.372 3.367 50 0 CGAARN O=C(N1CCCc2ccccc21)C(Cl)(Cl)Cl ZINC000000456015 368370827 /nfs/dbraw/zinc/37/08/27/368370827.db2.gz KRSWLGXANUIZHP-UHFFFAOYSA-N 0 0 278.566 3.336 50 0 CGAARN CCC[C@H](C)NC(=O)c1cc(Cl)ccc1OC 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O=C(Cc1ccccc1)OCc1ccc(F)cc1F ZINC000000500680 567875952 /nfs/dbraw/zinc/87/59/52/567875952.db2.gz BOLMDXHKFYWFOU-UHFFFAOYSA-N 0 0 262.255 3.251 50 0 CGAARN O=C(NCc1ccco1)N1CC=C(c2ccccc2)CC1 ZINC000009913424 567907756 /nfs/dbraw/zinc/90/77/56/567907756.db2.gz WOPDHRWJCGWRCE-UHFFFAOYSA-N 0 0 282.343 3.279 50 0 CGAARN CN(Cc1nc2ccccc2o1)Cc1ccc2c[nH]nc2c1 ZINC000584908335 570392238 /nfs/dbraw/zinc/39/22/38/570392238.db2.gz YBFMVOLASFOXHP-UHFFFAOYSA-N 0 0 292.342 3.336 50 0 CGAARN CSc1ccc([C@H](C)NC(=O)[C@H](C)n2ccnc2)cc1 ZINC000048574386 572512426 /nfs/dbraw/zinc/51/24/26/572512426.db2.gz GZYUALWVKNCABI-RYUDHWBXSA-N 0 0 289.404 3.043 50 0 CGAARN CNC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000584907258 572840823 /nfs/dbraw/zinc/84/08/23/572840823.db2.gz PKESAKNAMLEWSW-UHFFFAOYSA-N 0 0 286.278 3.189 50 0 CGAARN CC[C@@H](NCc1cnn(C)c1C)c1nc(C)c(C)s1 ZINC000952975402 615536336 /nfs/dbraw/zinc/53/63/36/615536336.db2.gz IRXJGAXAMZEFEF-CYBMUJFWSA-N 0 0 278.425 3.043 50 0 CGAARN CCc1nccn1CCC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000952982675 615777219 /nfs/dbraw/zinc/77/72/19/615777219.db2.gz ZTEHJGLGGTWSQM-OAHLLOKOSA-N 0 0 299.418 3.330 50 0 CGAARN C[C@@H]1[C@@H](O)CC[C@@]1(C(=O)Nc1ccccc1)c1ccccc1 ZINC000022034293 617903711 /nfs/dbraw/zinc/90/37/11/617903711.db2.gz BUEPBOCDTKDMQA-LJHODMEESA-N 0 0 295.382 3.354 50 0 CGAARN C[C@@H]1[C@H](O)CC[C@@]1(C(=O)Nc1ccccc1)c1ccccc1 ZINC000022034302 617904036 /nfs/dbraw/zinc/90/40/36/617904036.db2.gz BUEPBOCDTKDMQA-BJZITVGISA-N 0 0 295.382 3.354 50 0 CGAARN CCOc1ccccc1/C=C\c1nc2ccccc2[nH]c1=O ZINC000033936560 618049081 /nfs/dbraw/zinc/04/90/81/618049081.db2.gz CATQBBMKYBYRBS-QXMHVHEDSA-N 0 0 292.338 3.492 50 0 CGAARN Cc1cc(C)n(CNc2ccc3sc(C)nc3c2)n1 ZINC000022590893 618241806 /nfs/dbraw/zinc/24/18/06/618241806.db2.gz MVOYQEUZWCYVCK-UHFFFAOYSA-N 0 0 272.377 3.488 50 0 CGAARN CCOC(=O)/C(C#N)=C/C=C1\Sc2ccccc2N1C ZINC000013149157 618811551 /nfs/dbraw/zinc/81/15/51/618811551.db2.gz RNSQKCAFAVOSNV-GZESYCOQSA-N 0 0 286.356 3.083 50 0 CGAARN O=C(/C=C\c1ccc(Cl)cc1)Nc1cccnc1 ZINC000006456831 619069295 /nfs/dbraw/zinc/06/92/95/619069295.db2.gz UZUXLFXRFWVBKY-YVMONPNESA-N 0 0 258.708 3.387 50 0 CGAARN FC(F)COc1ccccc1NCC[C@H]1CCCO1 ZINC000189668296 619094523 /nfs/dbraw/zinc/09/45/23/619094523.db2.gz UENBTVPTTXFDSI-LLVKDONJSA-N 0 0 271.307 3.312 50 0 CGAARN Clc1ccc(OCc2noc(C[C@H]3C=CCC3)n2)cn1 ZINC000888097249 619260156 /nfs/dbraw/zinc/26/01/56/619260156.db2.gz AJFXRVWRCAJJMO-JTQLQIEISA-N 0 0 291.738 3.206 50 0 CGAARN O=c1cc(/C=C/c2cccnc2)oc(-c2ccccc2)n1 ZINC000252503123 619391557 /nfs/dbraw/zinc/39/15/57/619391557.db2.gz UYROECZNRPODDR-CMDGGOBGSA-N 0 0 276.295 3.267 50 0 CGAARN Cc1noc(C)c1CNC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000067757594 620381154 /nfs/dbraw/zinc/38/11/54/620381154.db2.gz UVMXDZZYXDBECB-INIZCTEOSA-N 0 0 299.374 3.120 50 0 CGAARN COc1ccc(C)c2c1N(Cc1nnc(C3CC3)o1)CCC2 ZINC000170007741 621591961 /nfs/dbraw/zinc/59/19/61/621591961.db2.gz ILLVDYAJIPQOIG-UHFFFAOYSA-N 0 0 299.374 3.217 50 0 CGAARN Cc1nnsc1CN1CCCCC[C@@H]1C(F)(F)F ZINC000904217899 621889717 /nfs/dbraw/zinc/88/97/17/621889717.db2.gz VJFJRASAXUHFQY-SNVBAGLBSA-N 0 0 279.331 3.153 50 0 CGAARN CCCN(C[C@H]1CCOC1)C(=O)Nc1cccc(F)c1C ZINC000169763728 623057285 /nfs/dbraw/zinc/05/72/85/623057285.db2.gz RUWTWUJWVABTDH-CYBMUJFWSA-N 0 0 294.370 3.415 50 0 CGAARN Nc1cc[nH+]c2c1cccc2-c1cccc(C(=O)[O-])c1 ZINC000067852334 624656498 /nfs/dbraw/zinc/65/64/98/624656498.db2.gz YOOHRPLECNBZBQ-UHFFFAOYSA-N 0 0 264.284 3.182 50 0 CGAARN CCCC[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(C(=O)[O-])c1 ZINC000067955392 624664178 /nfs/dbraw/zinc/66/41/78/624664178.db2.gz NIQAFZBXVUNCFO-CYBMUJFWSA-N 0 0 277.364 3.245 50 0 CGAARN CC[C@H](NCc1ncc(C)s1)c1c(C)noc1C ZINC000182430212 624998729 /nfs/dbraw/zinc/99/87/29/624998729.db2.gz GVNKXVDVFLETIQ-NSHDSACASA-N 0 0 265.382 3.297 50 0 CGAARN Cc1[nH]nc(C(C)C)c1C(=O)N1CCCC[C@H](C)C1 ZINC000186438442 625842461 /nfs/dbraw/zinc/84/24/61/625842461.db2.gz PCDKPGKQFKRRAL-NSHDSACASA-N 0 0 263.385 3.104 50 0 CGAARN O=c1nc([C@H]2CCCCO2)[nH]c2sc3c(c21)CCC3 ZINC000952993110 625875165 /nfs/dbraw/zinc/87/51/65/625875165.db2.gz CUJCHZUHMRVSKI-SECBINFHSA-N 0 0 276.361 3.127 50 0 CGAARN COc1cccc2cc(C(=O)c3ccc(F)cc3)c(=O)oc21 ZINC000952962508 636774704 /nfs/dbraw/zinc/77/47/04/636774704.db2.gz CAWIXRDZHDAGSH-UHFFFAOYSA-N 0 0 298.269 3.172 50 0 CGAARN O=C(Nc1ccccc1OC[C@H]1CCCO1)C1CC=CC1 ZINC000952965689 636776212 /nfs/dbraw/zinc/77/62/12/636776212.db2.gz QZCRVIYEGUZAAE-CQSZACIVSA-N 0 0 287.359 3.149 50 0 CGAARN CSc1cccc(CN(C)Cc2nc(C)c(C)n2C)c1 ZINC000952978529 636776650 /nfs/dbraw/zinc/77/66/50/636776650.db2.gz DAQNYCXTLOQYQA-UHFFFAOYSA-N 0 0 289.448 3.391 50 0 CGAARN CC12CC(CSc3ncnc4ccccc43)(C1)CO2 ZINC000952992714 636777287 /nfs/dbraw/zinc/77/72/87/636777287.db2.gz RKNMPJZMUPZMNJ-UHFFFAOYSA-N 0 0 272.373 3.291 50 0 CGAARN Cc1occc1C(=O)N(C)Cc1cc2cc(F)ccc2[nH]1 ZINC000952992083 636777664 /nfs/dbraw/zinc/77/76/64/636777664.db2.gz WRSLNQGELGYURL-UHFFFAOYSA-N 0 0 286.306 3.481 50 0 CGAARN C[C@H]1CCCC[C@@H]1CC(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 ZINC000952993936 636777835 /nfs/dbraw/zinc/77/78/35/636777835.db2.gz LWVWYNFQLDBTGT-HZSPNIEDSA-N 0 0 289.423 3.147 50 0 CGAARN Cc1noc(Cl)c1CC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000114699573 638218803 /nfs/dbraw/zinc/21/88/03/638218803.db2.gz JOUZNCWOWHPIAP-LBPRGKRZSA-N 0 0 298.814 3.464 50 0 CGAARN Cc1ccnc([C@H](Nc2ncnc(C)c2C)C2CC2)c1 ZINC000091746073 640720437 /nfs/dbraw/zinc/72/04/37/640720437.db2.gz XIIRQRYZVCCCEU-OAHLLOKOSA-N 0 0 268.364 3.360 50 0 CGAARN CC[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cn1)c1cccs1 ZINC000094760414 640802735 /nfs/dbraw/zinc/80/27/35/640802735.db2.gz BJOSCRLYEPHVFJ-GFCCVEGCSA-N 0 0 276.361 3.082 50 0 CGAARN Cc1cc(C)c(C)c(OC(=O)/C=C/c2ccncn2)c1 ZINC000096013721 640818758 /nfs/dbraw/zinc/81/87/58/640818758.db2.gz DOUOOAWYVLQOLO-SNAWJCMRSA-N 0 0 268.316 3.021 50 0 CGAARN Cc1cc(C)nc(SC[C@H]2COc3ccccc3O2)n1 ZINC000000076384 640916965 /nfs/dbraw/zinc/91/69/65/640916965.db2.gz FAWUNXVXUNCSCN-GFCCVEGCSA-N 0 0 288.372 3.026 50 0 CGAARN Cc1cc(CN(C)Cc2[nH]c(-c3ccccc3)nc2C)on1 ZINC000020997409 641045888 /nfs/dbraw/zinc/04/58/88/641045888.db2.gz KERSCNQJFPXAJR-UHFFFAOYSA-N 0 0 296.374 3.314 50 0 CGAARN Cc1ccc(-c2n[nH]c(Cc3ccccc3)n2)cc1O ZINC000065436274 798908002 /nfs/dbraw/zinc/90/80/02/798908002.db2.gz FIYTUSULOPIOAN-UHFFFAOYSA-N 0 0 265.316 3.077 50 0 CGAARN CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c1 ZINC000129727194 799023201 /nfs/dbraw/zinc/02/32/01/799023201.db2.gz IETDVFSCSMQKNC-IPYPFGDCSA-N 0 0 298.386 3.494 50 0 CGAARN Clc1cc(Br)ccc1-n1cccn1 ZINC000218274516 799135656 /nfs/dbraw/zinc/13/56/56/799135656.db2.gz STJCENWHPSVKDV-UHFFFAOYSA-N 0 0 257.518 3.288 50 0 CGAARN O=C(c1cccnc1)N1CC[C@H](CCOc2ccccc2)C1 ZINC000581788127 799674146 /nfs/dbraw/zinc/67/41/46/799674146.db2.gz AOBHAIKVWLMBJV-OAHLLOKOSA-N 0 0 296.370 3.013 50 0 CGAARN O=C(C1CCC1)N1CC[C@H](CCOc2ccccc2F)C1 ZINC000581788743 799674549 /nfs/dbraw/zinc/67/45/49/799674549.db2.gz UXFSEYUAZGGUEZ-CYBMUJFWSA-N 0 0 291.366 3.243 50 0 CGAARN C=CC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000585086923 799676225 /nfs/dbraw/zinc/67/62/25/799676225.db2.gz SEWAJFIRJJLHII-GFCCVEGCSA-N 0 0 295.814 3.350 50 0 CGAARN CC[C@@H](C)CCC(=O)Nc1ccc(-n2cnnc2)cc1 ZINC000585081982 799676733 /nfs/dbraw/zinc/67/67/33/799676733.db2.gz LHNUMUAFTPADBS-GFCCVEGCSA-N 0 0 272.352 3.032 50 0 CGAARN C[C@H](CC(=O)NCc1ccns1)Cc1cccc(F)c1 ZINC000585124025 799677626 /nfs/dbraw/zinc/67/76/26/799677626.db2.gz IQXXTVGEXUZEFC-NSHDSACASA-N 0 0 292.379 3.167 50 0 CGAARN O[C@@H](c1nc(Cc2ccccc2Cl)no1)C1CCC1 ZINC000585133613 799678632 /nfs/dbraw/zinc/67/86/32/799678632.db2.gz NIXIOFDCNGSMNU-CYBMUJFWSA-N 0 0 278.739 3.147 50 0 CGAARN CSC[C@@H](C)C(=O)Nc1ccc2ccc(Cl)nc2n1 ZINC000585131589 799679003 /nfs/dbraw/zinc/67/90/03/799679003.db2.gz ZWLBYLKKMJYPPH-MRVPVSSYSA-N 0 0 295.795 3.221 50 0 CGAARN C[C@@H](c1ncnn1C1Cc2ccccc2C1)n1cccc1 ZINC000822280172 800460099 /nfs/dbraw/zinc/46/00/99/800460099.db2.gz KWUPFPZNNSKUIY-ZDUSSCGKSA-N 0 0 278.359 3.029 50 0 CGAARN C[C@H](c1ccccc1)n1[nH]cc2nc(-c3ccncc3)nc1-2 ZINC000822289232 800460868 /nfs/dbraw/zinc/46/08/68/800460868.db2.gz ARSWDOYEFVXVQK-GFCCVEGCSA-N 0 0 289.342 3.431 50 0 CGAARN CCCOc1c(Cl)cccc1NC(=O)C1CCOCC1 ZINC000822979593 800465148 /nfs/dbraw/zinc/46/51/48/800465148.db2.gz QLKWAOVVVPZLHI-UHFFFAOYSA-N 0 0 297.782 3.494 50 0 CGAARN COc1cccc(C)c1C(=O)NC1CCCCCC1 ZINC000824792622 800472208 /nfs/dbraw/zinc/47/22/08/800472208.db2.gz MULKVZVRSMTWSK-UHFFFAOYSA-N 0 0 261.365 3.456 50 0 CGAARN CCSc1ccccc1NC(=O)[C@H](C)N1CCCC1 ZINC000952868528 800684993 /nfs/dbraw/zinc/68/49/93/800684993.db2.gz BAGXHEHOYKKPIJ-LBPRGKRZSA-N 0 0 278.421 3.221 50 0 CGAARN C[N@H+](Cc1cncnc1)C[C@]1(c2ccccc2)CC1(C)C ZINC000952871832 800685917 /nfs/dbraw/zinc/68/59/17/800685917.db2.gz DKVDBMJQRPVZDZ-SFHVURJKSA-N 0 0 281.403 3.276 50 0 CGAARN O[C@H]1CCOc2c(NCc3ccccc3F)cccc21 ZINC000184082243 927928848 /nfs/dbraw/zinc/92/88/48/927928848.db2.gz WFMVVCYLOHDDFW-HNNXBMFYSA-N 0 0 273.307 3.254 50 0 CGAARN CN(CC[C@@H]1CCCCO1)c1ncnc2ccsc21 ZINC001506401052 937989587 /nfs/dbraw/zinc/98/95/87/937989587.db2.gz BLTJHPKROHSNJK-NSHDSACASA-N 0 0 277.393 3.087 50 0 CGAARN Cc1ccc(CN(C)C(=O)c2cccc(-c3cn[nH]c3)c2)o1 ZINC001506396694 937989651 /nfs/dbraw/zinc/98/96/51/937989651.db2.gz MRXSSILZVWBSSZ-UHFFFAOYSA-N 0 0 295.342 3.250 50 0 CGAARN Cc1cnn(Cc2cccc(C)c2)c1NC(=O)c1ccc[nH]1 ZINC001506403082 937989675 /nfs/dbraw/zinc/98/96/75/937989675.db2.gz VKXXGEDFGOBDRE-UHFFFAOYSA-N 0 0 294.358 3.129 50 0 CGAARN CCc1noc(NC(=O)c2cc(-c3ccccc3)on2)c1C ZINC001506399380 937989682 /nfs/dbraw/zinc/98/96/82/937989682.db2.gz FGJBBRAYTBEGCP-UHFFFAOYSA-N 0 0 297.314 3.453 50 0 CGAARN CCO[C@@H](C)c1ccc(-c2cnc3n[nH]nc3c2)cc1 ZINC001506431657 937990122 /nfs/dbraw/zinc/99/01/22/937990122.db2.gz UGWRZZDISAGZSF-JTQLQIEISA-N 0 0 268.320 3.117 50 0 CGAARN CCCc1cc(C(=O)Nc2ccnn2C(CC)CC)no1 ZINC001529114966 938070994 /nfs/dbraw/zinc/07/09/94/938070994.db2.gz VGUGOQMYRCELDT-UHFFFAOYSA-N 0 0 290.367 3.437 50 0 CGAARN CCc1nn(C)c(NC(=O)[C@H]2CCc3ccccc32)c1CC ZINC001529145697 938071247 /nfs/dbraw/zinc/07/12/47/938071247.db2.gz FKXOFXJTQFRVFU-HNNXBMFYSA-N 0 0 297.402 3.213 50 0 CGAARN C[C@H]1C[C@@H](Nc2ccc(OC3CCCC3)c(F)c2)C(=O)O1 ZINC000096437237 230372078 /nfs/dbraw/zinc/37/20/78/230372078.db2.gz ZHDAXQRITAATHT-IINYFYTJSA-N 0 0 293.338 3.263 50 0 CGAARN O=C(Nc1cc(-c2ccccc2)ns1)[C@H]1CCCOC1 ZINC000098015947 230391156 /nfs/dbraw/zinc/39/11/56/230391156.db2.gz NFEIRSYKSGRETR-LBPRGKRZSA-N 0 0 288.372 3.175 50 0 CGAARN CCn1cc(NC(=O)N(C)Cc2cc3ccccc3o2)cn1 ZINC000096445880 230374491 /nfs/dbraw/zinc/37/44/91/230374491.db2.gz PUJFKIDIWILWKT-UHFFFAOYSA-N 0 0 298.346 3.313 50 0 CGAARN Cn1cccc1[C@@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000096445055 230374576 /nfs/dbraw/zinc/37/45/76/230374576.db2.gz XMUHGAFCTWBMSK-ZBFHGGJFSA-N 0 0 290.407 3.038 50 0 CGAARN O=C(c1cc(Cl)c[nH]1)N(CC1CCC1)C[C@H]1CCCO1 ZINC000097743273 230387249 /nfs/dbraw/zinc/38/72/49/230387249.db2.gz SFAXPCBFONKMKP-CYBMUJFWSA-N 0 0 296.798 3.089 50 0 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368333254 /nfs/dbraw/zinc/33/32/54/368333254.db2.gz NBYYKZMLPLZGSX-UHFFFAOYSA-N 0 0 295.111 3.236 50 0 CGAARN Cc1oc2c(c(=O)c1C)C(=O)C[C@H](c1ccccc1)C2 ZINC000000287420 368333509 /nfs/dbraw/zinc/33/35/09/368333509.db2.gz HBQXSGQRPONNLL-ZDUSSCGKSA-N 0 0 268.312 3.169 50 0 CGAARN O=C(Oc1cccc(OC(=O)c2ccco2)c1)c1ccco1 ZINC000000294659 368334486 /nfs/dbraw/zinc/33/44/86/368334486.db2.gz PPIVYUNYGYDIQR-UHFFFAOYSA-N 0 0 298.250 3.311 50 0 CGAARN COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000000299894 368336259 /nfs/dbraw/zinc/33/62/59/368336259.db2.gz ANJUUMLKPZLRGR-LBPRGKRZSA-N 0 0 285.343 3.195 50 0 biogenic CGAARN Cc1ccc(F)c(NS(=O)(=O)Cc2ccccc2)c1 ZINC000000311411 368338421 /nfs/dbraw/zinc/33/84/21/368338421.db2.gz XRYPNKZQWDVXIU-UHFFFAOYSA-N 0 0 279.336 3.076 50 0 CGAARN Cc1ccc(CNC(=O)c2ccc(Br)o2)cc1 ZINC000000311609 368339302 /nfs/dbraw/zinc/33/93/02/368339302.db2.gz WQTDTYVKDMOCCC-UHFFFAOYSA-N 0 0 294.148 3.281 50 0 CGAARN Cc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000000319293 368340556 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CCCC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000000569304 368388809 /nfs/dbraw/zinc/38/88/09/368388809.db2.gz QODKKZKORILYTI-UHFFFAOYSA-N 0 0 254.717 3.037 50 0 CGAARN COc1ccc(C2(C(=O)NC(C)C)CCCC2)cc1OC ZINC000000612832 368391385 /nfs/dbraw/zinc/39/13/85/368391385.db2.gz WRRAZMNKERJOCO-UHFFFAOYSA-N 0 0 291.391 3.040 50 0 CGAARN Nc1nc(Cl)cc(SCc2ccccc2)n1 ZINC000001402794 368411865 /nfs/dbraw/zinc/41/18/65/368411865.db2.gz RLKMANFYMOECQK-UHFFFAOYSA-N 0 0 251.742 3.005 50 0 CGAARN CC(C)(C)C1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000001458792 368414993 /nfs/dbraw/zinc/41/49/93/368414993.db2.gz WXGBVAIVXDYKJY-RUXDESIVSA-N 0 0 267.413 3.134 50 0 CGAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000001460900 368415316 /nfs/dbraw/zinc/41/53/16/368415316.db2.gz LSXRSWXNEVRBOA-NSHDSACASA-N 0 0 267.756 3.038 50 0 CGAARN CCC(CC)C(=O)NCCc1cccc(Cl)c1 ZINC000001469249 368416280 /nfs/dbraw/zinc/41/62/80/368416280.db2.gz CZQDKYAEJARHID-UHFFFAOYSA-N 0 0 253.773 3.435 50 0 CGAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1CC1 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NWOKWNAPSDXCEX-UHFFFAOYSA-N 0 0 292.285 3.035 50 0 CGAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(Cl)o1 ZINC000058281732 369561733 /nfs/dbraw/zinc/56/17/33/369561733.db2.gz JXIIGWMBXNUCQR-GHMZBOCLSA-N 0 0 285.771 3.258 50 0 CGAARN CN(Cc1nc2ccccc2[nH]1)C(=O)/C=C/c1ccsc1 ZINC000058289351 369562050 /nfs/dbraw/zinc/56/20/50/369562050.db2.gz USOFHQIQWCXBDT-VOTSOKGWSA-N 0 0 297.383 3.296 50 0 CGAARN COc1cccc(CN(C)Cc2nc3ccccc3o2)c1 ZINC000058311072 369563611 /nfs/dbraw/zinc/56/36/11/369563611.db2.gz NZXDTMBTJUWERM-UHFFFAOYSA-N 0 0 282.343 3.468 50 0 CGAARN Cc1ccc(NC(=O)c2ccc[nH]c2=S)c(O)c1 ZINC000058377730 369565647 /nfs/dbraw/zinc/56/56/47/369565647.db2.gz WYTRJZCCOPRISK-UHFFFAOYSA-N 0 0 260.318 3.011 50 0 CGAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCOC1 ZINC000058412762 369567712 /nfs/dbraw/zinc/56/77/12/369567712.db2.gz OSCORWRHCXCVGL-ZDUSSCGKSA-N 0 0 283.327 3.454 50 0 CGAARN O=C(NOCc1ccccc1)c1nccc2ccccc21 ZINC000058425129 369568627 /nfs/dbraw/zinc/56/86/27/369568627.db2.gz UIWDVHBDBGFDHO-UHFFFAOYSA-N 0 0 278.311 3.096 50 0 CGAARN CN(CC12CC3CC(CC(C3)C1)C2)c1ncccn1 ZINC000057680946 369544865 /nfs/dbraw/zinc/54/48/65/369544865.db2.gz QTNFCSNUBVCHQN-UHFFFAOYSA-N 0 0 257.381 3.129 50 0 CGAARN Cc1ncc(C(=O)OC/C=C/c2ccccc2)s1 ZINC000060202701 369584320 /nfs/dbraw/zinc/58/43/20/369584320.db2.gz QSDGMOYYOILBMP-VMPITWQZSA-N 0 0 259.330 3.322 50 0 CGAARN CC(C)N(C(=O)Cn1ncc2ccccc21)c1ccccc1 ZINC000060512865 369588375 /nfs/dbraw/zinc/58/83/75/369588375.db2.gz HWZXUDKGANJLMT-UHFFFAOYSA-N 0 0 293.370 3.478 50 0 CGAARN Fc1ccc(-c2nc(CN3CCSCC3)co2)cc1 ZINC000061283742 369597855 /nfs/dbraw/zinc/59/78/55/369597855.db2.gz MLGNLCUJVPCNTJ-UHFFFAOYSA-N 0 0 278.352 3.030 50 0 CGAARN O=C(Nc1nnc(-c2cccs2)o1)Nc1ccccc1 ZINC000062017463 369615216 /nfs/dbraw/zinc/61/52/16/369615216.db2.gz FSFFHDGFXACOMC-UHFFFAOYSA-N 0 0 286.316 3.442 50 0 CGAARN O=C(Cc1cccc(O)c1)N(Cc1ccccc1)C1CC1 ZINC000063537035 369647813 /nfs/dbraw/zinc/64/78/13/369647813.db2.gz SWIPDAKERBTMEJ-UHFFFAOYSA-N 0 0 281.355 3.126 50 0 CGAARN CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccccn2)cc1 ZINC000064289912 369652134 /nfs/dbraw/zinc/65/21/34/369652134.db2.gz RTWLGBSAJWVDJK-UHFFFAOYSA-N 0 0 282.343 3.201 50 0 CGAARN c1coc(-c2noc(CNC3(c4ccccc4)CCC3)n2)c1 ZINC000064337712 369652221 /nfs/dbraw/zinc/65/22/21/369652221.db2.gz KLBZSOPGQRPNCT-UHFFFAOYSA-N 0 0 295.342 3.499 50 0 CGAARN Cc1cccc(C(=O)Nc2cc(-c3cccnc3)no2)c1 ZINC000064542095 369654390 /nfs/dbraw/zinc/65/43/90/369654390.db2.gz ISBRFXZQEKENEH-UHFFFAOYSA-N 0 0 279.299 3.297 50 0 CGAARN CC(C)NC(=O)c1nc2ccccn2c1-c1ccsc1 ZINC000064543098 369655762 /nfs/dbraw/zinc/65/57/62/369655762.db2.gz IKSCMOKCWIXRKX-UHFFFAOYSA-N 0 0 285.372 3.201 50 0 CGAARN O=C(Nc1ccccc1)c1csc(N2CCCCC2)n1 ZINC000064552500 369655957 /nfs/dbraw/zinc/65/59/57/369655957.db2.gz ZWIUMXVJWAHXPK-UHFFFAOYSA-N 0 0 287.388 3.386 50 0 CGAARN CCCNC(=O)c1c2c(nc3c(C)cccc31)CCC2 ZINC000064553326 369657222 /nfs/dbraw/zinc/65/72/22/369657222.db2.gz BGUUYRUJBIWZIV-UHFFFAOYSA-N 0 0 268.360 3.172 50 0 CGAARN Cc1cc(C)c(-c2nccc(N3CCC(O)CC3)n2)c(C)c1 ZINC000065375070 369671080 /nfs/dbraw/zinc/67/10/80/369671080.db2.gz QWVMJKUXVOOUJH-UHFFFAOYSA-N 0 0 297.402 3.030 50 0 CGAARN CCCNC(=O)c1ccc(-c2cccc(F)c2)nc1 ZINC000064668972 369659716 /nfs/dbraw/zinc/65/97/16/369659716.db2.gz SCJMKZXFSHYHFV-UHFFFAOYSA-N 0 0 258.296 3.028 50 0 CGAARN Cc1onc(-c2cccnc2)c1C(=O)NC1CCCCCC1 ZINC000064820017 369660684 /nfs/dbraw/zinc/66/06/84/369660684.db2.gz KKVICGRIFJDZAR-UHFFFAOYSA-N 0 0 299.374 3.498 50 0 CGAARN Cc1cc(C[S@](=O)Cc2cccc(Cl)c2)no1 ZINC000064811575 369661109 /nfs/dbraw/zinc/66/11/09/369661109.db2.gz DAZLEOAVPPGOPK-KRWDZBQOSA-N 0 0 269.753 3.085 50 0 CGAARN CC(C)CNC(=O)c1ccc(-c2ccsc2)nc1 ZINC000065173682 369665411 /nfs/dbraw/zinc/66/54/11/369665411.db2.gz MXHZDGPMZWZXRA-UHFFFAOYSA-N 0 0 260.362 3.196 50 0 CGAARN CC(C)Cn1nc(CNC(=O)c2ccco2)c2ccccc21 ZINC000065219873 369666528 /nfs/dbraw/zinc/66/65/28/369666528.db2.gz UNJWCIHPSKGLEV-UHFFFAOYSA-N 0 0 297.358 3.215 50 0 CGAARN CC(C)NC(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000062416874 369624432 /nfs/dbraw/zinc/62/44/32/369624432.db2.gz BBAUFORKQIZSIB-UHFFFAOYSA-N 0 0 294.395 3.158 50 0 CGAARN CS[C@@H](C)c1cccc(NC(=O)C2CCOCC2)c1 ZINC000067240486 369715071 /nfs/dbraw/zinc/71/50/71/369715071.db2.gz AVOKDASJHNIWEV-NSHDSACASA-N 0 0 279.405 3.476 50 0 CGAARN C(=C/c1ccnc(N2CCCCC2)n1)\c1ccco1 ZINC000067320886 369715950 /nfs/dbraw/zinc/71/59/50/369715950.db2.gz CARKOXPEOIQCMD-VOTSOKGWSA-N 0 0 255.321 3.230 50 0 CGAARN COc1ccccc1CN1Cc2ccccc2O[C@@H](C)C1=O ZINC000067323883 369716529 /nfs/dbraw/zinc/71/65/29/369716529.db2.gz AXQAMCNBFIDRAA-ZDUSSCGKSA-N 0 0 297.354 3.005 50 0 CGAARN O=C(c1ccccn1)[C@@H]1CCCN(C/C=C/c2ccco2)C1 ZINC000065399088 369673050 /nfs/dbraw/zinc/67/30/50/369673050.db2.gz SHDGYJLUHCZFPZ-NFBGWVBBSA-N 0 0 296.370 3.283 50 0 CGAARN COc1ccc(-c2ccc(NC3CC3)nn2)c(C)c1 ZINC000065435271 369675948 /nfs/dbraw/zinc/67/59/48/369675948.db2.gz OXTKPTIHKRDTER-UHFFFAOYSA-N 0 0 255.321 3.035 50 0 CGAARN CCc1cnc(C)nc1N[C@H](C)c1ccc(O)c(F)c1 ZINC000065493225 369679529 /nfs/dbraw/zinc/67/95/29/369679529.db2.gz GAWKTVQIVGJOTM-SECBINFHSA-N 0 0 275.327 3.365 50 0 CGAARN CN(Cc1ccsc1)C(=O)Cc1ccccc1F ZINC000065564543 369683579 /nfs/dbraw/zinc/68/35/79/369683579.db2.gz HBBBBYGHJLORRZ-UHFFFAOYSA-N 0 0 263.337 3.088 50 0 CGAARN CN(C(=O)c1cc2ccccc2[nH]c1=O)C1CCCCCC1 ZINC000065566352 369684004 /nfs/dbraw/zinc/68/40/04/369684004.db2.gz VWOSYHLCEBVINA-UHFFFAOYSA-N 0 0 298.386 3.323 50 0 CGAARN CCc1noc(CN(C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000065951567 369687119 /nfs/dbraw/zinc/68/71/19/369687119.db2.gz STSNJDZHMMFQCY-HNNXBMFYSA-N 0 0 283.375 3.284 50 0 CGAARN Cc1cc(C[S@](=O)Cc2c(F)cccc2Cl)on1 ZINC000069820827 369771863 /nfs/dbraw/zinc/77/18/63/369771863.db2.gz LGMQIPKALKLTRR-GOSISDBHSA-N 0 0 287.743 3.224 50 0 CGAARN CC(C)C(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069814285 369771894 /nfs/dbraw/zinc/77/18/94/369771894.db2.gz HKRKBVXEPCGHHG-INIZCTEOSA-N 0 0 286.350 3.425 50 0 CGAARN O=C(c1cccc2[nH]ncc21)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000068015972 369738242 /nfs/dbraw/zinc/73/82/42/369738242.db2.gz XGBQZSSVWLQJMP-LRDDRELGSA-N 0 0 283.375 3.358 50 0 CGAARN COCc1nc(C(=O)OC[C@H]2CC=CC[C@H]2C)cs1 ZINC000068413082 369743357 /nfs/dbraw/zinc/74/33/57/369743357.db2.gz ZJUGVEITKLLLQC-GHMZBOCLSA-N 0 0 281.377 3.049 50 0 CGAARN C[C@@H]1C[C@H]1C(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069369388 369757867 /nfs/dbraw/zinc/75/78/67/369757867.db2.gz JCJNIHSRXLFCNH-VMGRFDJRSA-N 0 0 298.361 3.425 50 0 CGAARN CC(C)c1nnc(NC(=O)c2ccccc2C(F)(F)F)[nH]1 ZINC000069419185 369759335 /nfs/dbraw/zinc/75/93/35/369759335.db2.gz AZVRAURGBVHILN-UHFFFAOYSA-N 0 0 298.268 3.199 50 0 CGAARN Cc1noc([C@@H](C)N[C@H](C)c2ccccc2Cl)n1 ZINC000069453080 369760145 /nfs/dbraw/zinc/76/01/45/369760145.db2.gz ZRYPAKQVWJIJHC-RKDXNWHRSA-N 0 0 265.744 3.443 50 0 CGAARN Cc1c(NC(=O)c2cc3ccccc3[nH]2)n[nH]c1C1CC1 ZINC000069453670 369760639 /nfs/dbraw/zinc/76/06/39/369760639.db2.gz XLDWQJMHMLENBG-UHFFFAOYSA-N 0 0 280.331 3.329 50 0 CGAARN Cc1cnn([C@H](C)[C@H](C)Nc2nc3ccccc3o2)c1 ZINC000069454102 369760830 /nfs/dbraw/zinc/76/08/30/369760830.db2.gz AOGBMBXUKGYLDG-NWDGAFQWSA-N 0 0 270.336 3.394 50 0 CGAARN CCc1nc(CCNC(=O)c2ccccc2C)sc1C ZINC000069486716 369761757 /nfs/dbraw/zinc/76/17/57/369761757.db2.gz QSXYHIURJDMFOD-UHFFFAOYSA-N 0 0 288.416 3.295 50 0 CGAARN C[C@H]1CO[C@H](c2ccccc2)CN1Cc1ccccn1 ZINC000069567813 369764659 /nfs/dbraw/zinc/76/46/59/369764659.db2.gz FXSSGNMGKPVVNH-YOEHRIQHSA-N 0 0 268.360 3.044 50 0 CGAARN CCCOc1ccc(-c2nc(C(=O)N(C)C)cs2)cc1 ZINC000069568006 369764713 /nfs/dbraw/zinc/76/47/13/369764713.db2.gz QQXRCCVOBCYEEI-UHFFFAOYSA-N 0 0 290.388 3.301 50 0 CGAARN Cc1cn2cc(NC(=O)N(C)Cc3ccccc3)ccc2n1 ZINC000069629226 369766524 /nfs/dbraw/zinc/76/65/24/369766524.db2.gz BNENRBKLKVPFFF-UHFFFAOYSA-N 0 0 294.358 3.307 50 0 CGAARN CC(=O)c1ccc(-n2cnnc2Cc2ccccc2)cc1 ZINC000067755393 369727137 /nfs/dbraw/zinc/72/71/37/369727137.db2.gz NAQZVJWAENZQIE-UHFFFAOYSA-N 0 0 277.327 3.061 50 0 CGAARN CCC(=O)NCc1ccccc1-c1ccc2c(c1)OCO2 ZINC000067725761 369727442 /nfs/dbraw/zinc/72/74/42/369727442.db2.gz CSHXMAHGKAXNNZ-UHFFFAOYSA-N 0 0 283.327 3.109 50 0 CGAARN c1nncn1-c1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000067907948 369735453 /nfs/dbraw/zinc/73/54/53/369735453.db2.gz XNSUXXOJOXYVKP-UHFFFAOYSA-N 0 0 260.300 3.416 50 0 CGAARN COCC(=O)Nc1ccc(-c2ccc(F)cc2OC)cc1 ZINC000067935361 369736875 /nfs/dbraw/zinc/73/68/75/369736875.db2.gz JDHXUDFGSASPEF-UHFFFAOYSA-N 0 0 289.306 3.086 50 0 CGAARN CC[C@@H](C)Nc1nc2nn[nH]c2c(Nc2ccc(C)cc2)n1 ZINC000070655776 369806395 /nfs/dbraw/zinc/80/63/95/369806395.db2.gz FPXRMEXXWIDWJU-SNVBAGLBSA-N 0 0 297.366 3.010 50 0 CGAARN O=C([O-])[C@@H](C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000071772772 369810699 /nfs/dbraw/zinc/81/06/99/369810699.db2.gz AFTLGSSFENJIBS-HNNXBMFYSA-N 0 0 261.365 3.025 50 0 CGAARN C[C@@H]1C[C@@H]2[C@@H](C[C@H](C)[C@H]2OCc2ccccc2)[C@H]1O ZINC000071786754 369812262 /nfs/dbraw/zinc/81/22/62/369812262.db2.gz ODWOPXOPGGTAMU-QQEBABPVSA-N 0 0 260.377 3.245 50 0 CGAARN Cc1noc(C)c1CCCNc1ccc2cc[nH]c2n1 ZINC000072421715 369819315 /nfs/dbraw/zinc/81/93/15/369819315.db2.gz KVSTVRWJTFJCPJ-UHFFFAOYSA-N 0 0 270.336 3.212 50 0 CGAARN CCC[C@@H](C)NC(=O)c1ccc(OC)c(Cl)c1 ZINC000072446866 369820507 /nfs/dbraw/zinc/82/05/07/369820507.db2.gz UFVWNNGCADKSIQ-SECBINFHSA-N 0 0 255.745 3.267 50 0 CGAARN CC1CCN(C(=O)c2cccc(Oc3ncccn3)c2)CC1 ZINC000072446692 369820515 /nfs/dbraw/zinc/82/05/15/369820515.db2.gz MRLRZYIUFRVOPL-UHFFFAOYSA-N 0 0 297.358 3.141 50 0 CGAARN COCc1cccc(NC(=O)c2ccc(OC)c(C)c2)c1 ZINC000072441966 369820810 /nfs/dbraw/zinc/82/08/10/369820810.db2.gz UAMINUVNYKKDII-UHFFFAOYSA-N 0 0 285.343 3.402 50 0 CGAARN CCc1nc(CCNC(=O)c2sccc2C)sc1C ZINC000069970433 369776783 /nfs/dbraw/zinc/77/67/83/369776783.db2.gz VGMMQSSWPJCCLI-UHFFFAOYSA-N 0 0 294.445 3.356 50 0 CGAARN COc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1OC ZINC000070461466 369801629 /nfs/dbraw/zinc/80/16/29/369801629.db2.gz IIWKSYZJOYIBHQ-UHFFFAOYSA-N 0 0 284.315 3.403 50 0 CGAARN 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