smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 ZINC000111478523 185607987 /nfs/dbraw/zinc/60/79/87/185607987.db2.gz MCNJIEZWPGNTHD-GLJUWKHASA-N 0 0 321.380 4.433 50 10 DICARN C[C@H](NC(=O)C1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000072117876 191039237 /nfs/dbraw/zinc/03/92/37/191039237.db2.gz UTOULDQRKLWURY-HNNXBMFYSA-N 0 0 300.446 4.044 50 10 DICARN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1O ZINC000000066689 180682732 /nfs/dbraw/zinc/68/27/32/180682732.db2.gz DMESJQVQNKHJKT-MHWRWJLKSA-N 0 0 322.360 4.081 50 10 DICARN COc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1C ZINC000000368363 180768818 /nfs/dbraw/zinc/76/88/18/180768818.db2.gz FQJAEIYYXHYVSP-BOPFTXTBSA-N 0 0 306.361 4.293 50 10 DICARN C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C1 ZINC000000547815 180819009 /nfs/dbraw/zinc/81/90/09/180819009.db2.gz KLMPCECSMQECAK-RLIURORJSA-N 0 0 320.845 4.042 50 10 DICARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000001590902 180876602 /nfs/dbraw/zinc/87/66/02/180876602.db2.gz ASZZDRZWQZCQTD-JYRVWZFOSA-N 0 0 319.382 4.133 50 10 DICARN CN(C)c1ccc(/C=C2\c3ccccc3NC2=O)c2ccccc21 ZINC000002524288 180931875 /nfs/dbraw/zinc/93/18/75/180931875.db2.gz VFCXONOPGCDDBQ-QGOAFFKASA-N 0 0 314.388 4.399 50 10 in-vitro DICARN Oc1ccccc1C1=NN[C@H](c2ccc3ccccc3c2)S1 ZINC000003151179 180986118 /nfs/dbraw/zinc/98/61/18/180986118.db2.gz UPSFLYNKZIBVCC-KRWDZBQOSA-N 0 0 306.390 4.242 50 10 DICARN Cc1c(C)c(Cl)c2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000003896778 181053449 /nfs/dbraw/zinc/05/34/49/181053449.db2.gz KUCOXFSUWPJOIL-UHFFFAOYSA-N 0 0 305.160 4.386 50 10 biogenic DICARN CC(=Cc1ccccc1)C=C1SC(Nc2cccnc2)=NC1=O ZINC000004338989 181099815 /nfs/dbraw/zinc/09/98/15/181099815.db2.gz XQWFQRNOZYZXFI-VKDWSQHSSA-N 0 0 321.405 4.110 50 10 DICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(C)c1 ZINC000004359055 181101782 /nfs/dbraw/zinc/10/17/82/181101782.db2.gz BJWJCDLVDFWWGK-UNOMPAQXSA-N 0 0 319.408 4.330 50 10 DICARN CCOC(=O)C1=CS/C(=C\C(=S)c2ccccc2)S1 ZINC000004664638 181134090 /nfs/dbraw/zinc/13/40/90/181134090.db2.gz GPHOTOWBTZWHMO-MDWZMJQESA-N 0 0 308.449 4.131 50 10 DICARN CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000004715092 181141482 /nfs/dbraw/zinc/14/14/82/181141482.db2.gz BLFZMXOCPASACY-UHFFFAOYSA-N 0 0 322.408 4.103 50 10 DICARN Cc1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000004795368 181153245 /nfs/dbraw/zinc/15/32/45/181153245.db2.gz JYUNTUURMVYFSK-RVDMUPIBSA-N 0 0 311.431 4.401 50 10 DICARN COc1cc([N+](=O)[O-])ccc1NN=Nc1ccccc1Cl ZINC000004951215 181178177 /nfs/dbraw/zinc/17/81/77/181178177.db2.gz WGKDNMBEJJAQQU-UHFFFAOYSA-N 0 0 306.709 4.368 50 10 DICARN CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S ZINC000005123827 181206266 /nfs/dbraw/zinc/20/62/66/181206266.db2.gz BANRPOCAYKWTNY-GXDHUFHOSA-N 0 0 315.419 4.168 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3ccsc3)S2)c(C)c1 ZINC000005131322 181208341 /nfs/dbraw/zinc/20/83/41/181208341.db2.gz WGWYGARVGVNBNW-RIYZIHGNSA-N 0 0 314.435 4.447 50 10 DICARN CC(C)C[C@@H](Nc1c2ccccc2[nH+]c2ccccc21)C(=O)[O-] ZINC000005529151 181254006 /nfs/dbraw/zinc/25/40/06/181254006.db2.gz JULJLHNDMPMRHL-QGZVFWFLSA-N 0 0 308.381 4.299 50 10 DICARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(C)cc1C ZINC000005587713 181261188 /nfs/dbraw/zinc/26/11/88/181261188.db2.gz VRBQHSUCDNJMGF-BOPFTXTBSA-N 0 0 323.371 4.161 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)c(C)c1 ZINC000006205551 181319231 /nfs/dbraw/zinc/31/92/31/181319231.db2.gz WOAPYOUCCKFVLF-LDADJPATSA-N 0 0 305.381 4.022 50 10 DICARN CN(C)c1ccc(C=C2SC(=O)N=C2Nc2ccccc2)cc1 ZINC000006226540 181320877 /nfs/dbraw/zinc/32/08/77/181320877.db2.gz GPZUGLGTEVFXHX-FOWTUZBSSA-N 0 0 323.421 4.471 50 10 DICARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C(C)C)c1 ZINC000006721654 181376641 /nfs/dbraw/zinc/37/66/41/181376641.db2.gz OFQSBQSZVPSNJO-YLJYHZDGSA-N 0 0 322.408 4.226 50 10 DICARN CN(C)c1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC000007621059 181480403 /nfs/dbraw/zinc/48/04/03/181480403.db2.gz ANGBRACUYYLMAG-UXBLZVDNSA-N 0 0 319.364 4.379 50 10 DICARN CC(C)c1ccc(-c2ccc(C(=S)N3CCOCC3)o2)cc1 ZINC000011689978 181698779 /nfs/dbraw/zinc/69/87/79/181698779.db2.gz JEEGTMOMKSZYEN-UHFFFAOYSA-N 0 0 315.438 4.078 50 10 DICARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C1CCCCC1 ZINC000013786548 181896564 /nfs/dbraw/zinc/89/65/64/181896564.db2.gz SLNFKQZXQNPJER-UVTDQMKNSA-N 0 0 321.442 4.360 50 10 DICARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000015636035 182009925 /nfs/dbraw/zinc/00/99/25/182009925.db2.gz SSUNCQIHFRAGTQ-YBEGLDIGSA-N 0 0 314.747 4.285 50 10 DICARN CCCOc1ccccc1/C=C1\SC(=S)N(C(C)C)C1=O ZINC000016213000 182036855 /nfs/dbraw/zinc/03/68/55/182036855.db2.gz PJKHMUBWGANWDU-UVTDQMKNSA-N 0 0 321.467 4.085 50 10 DICARN Cc1ccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)N=C2C)o1 ZINC000016348022 182041903 /nfs/dbraw/zinc/04/19/03/182041903.db2.gz KQWBWBMXBXJUBG-JYRVWZFOSA-N 0 0 318.735 4.187 50 10 DICARN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000019736805 182140831 /nfs/dbraw/zinc/14/08/31/182140831.db2.gz ZXTOHUBZLJDIMN-ZIAGYGMSSA-N 0 0 312.413 4.188 50 10 DICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccccc1 ZINC000020074724 182184998 /nfs/dbraw/zinc/18/49/98/182184998.db2.gz PELYRGBYZSQILR-PDGQHHTCSA-N 0 0 305.381 4.022 50 10 DICARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1C1CC1 ZINC000032694176 182655728 /nfs/dbraw/zinc/65/57/28/182655728.db2.gz JNEYMYBIOHLKOV-UNOMPAQXSA-N 0 0 319.408 4.246 50 10 DICARN COc1cccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)c1 ZINC000035638357 182783573 /nfs/dbraw/zinc/78/35/73/182783573.db2.gz JPVIJXIJZUJCDE-LFIBNONCSA-N 0 0 324.405 4.086 50 10 DICARN Cc1cc(C=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000000037795 563211296 /nfs/dbraw/zinc/21/12/96/563211296.db2.gz DHUVUDSNMJATFE-UHFFFAOYSA-N 0 0 306.203 4.286 50 10 DICARN O=C(CSC1=NCCc2ccccc21)c1ccc(Cl)cc1 ZINC000000172345 563227547 /nfs/dbraw/zinc/22/75/47/563227547.db2.gz BBYFCNVAVIWXPG-UHFFFAOYSA-N 0 0 315.825 4.259 50 10 DICARN O=C1/C(=C/c2ccccc2)SC(=S)N1C1CCCCC1 ZINC000000969853 563273165 /nfs/dbraw/zinc/27/31/65/563273165.db2.gz JKMFIKLRISCBEN-KAMYIIQDSA-N 0 0 303.452 4.221 50 10 DICARN O=C1/C(=C/c2ccco2)SC(=S)N1CCC1CCCC1 ZINC000001135168 563277717 /nfs/dbraw/zinc/27/77/17/563277717.db2.gz NSCPDRZYNQLSBH-RAXLEYEMSA-N 0 0 307.440 4.061 50 10 DICARN Cc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)o1 ZINC000001159263 563278510 /nfs/dbraw/zinc/27/85/10/563278510.db2.gz UJBNLZXUYHIVMN-ZROIWOOFSA-N 0 0 315.419 4.302 50 10 DICARN CC(C)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001446642 563284135 /nfs/dbraw/zinc/28/41/35/563284135.db2.gz AYYRWTFLYSCVSC-GHXNOFRVSA-N 0 0 311.859 4.197 50 10 DICARN CCOC(=O)c1sc2nc(-c3ccc(C)cc3)ccc2c1N ZINC000001472209 563284330 /nfs/dbraw/zinc/28/43/30/563284330.db2.gz DHIUIYBLQZBPOE-UHFFFAOYSA-N 0 0 312.394 4.031 50 10 DICARN O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001515902 563284816 /nfs/dbraw/zinc/28/48/16/563284816.db2.gz OEZWBJLEKBUTGH-KPKJPENVSA-N 0 0 321.810 4.089 50 10 DICARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccc(F)cc1 ZINC000001853167 563296608 /nfs/dbraw/zinc/29/66/08/563296608.db2.gz YTJOBEVUYRFKIQ-NTEUORMPSA-N 0 0 316.332 4.047 50 10 DICARN O=C1NC(=S)S/C1=C\c1c2ccccc2cc2ccccc21 ZINC000002066034 563299209 /nfs/dbraw/zinc/29/92/09/563299209.db2.gz IRLORLJPDPTFPE-YBEGLDIGSA-N 0 0 321.426 4.482 50 10 DICARN O=C1/C(=C\c2cccs2)SC(=S)N1C1CCCCC1 ZINC000002433547 563303630 /nfs/dbraw/zinc/30/36/30/563303630.db2.gz KKWYUQVJAZDZDH-FMIVXFBMSA-N 0 0 309.481 4.282 50 10 DICARN Oc1ccc(-c2csc(Nc3ccc(F)cc3F)n2)cc1O ZINC000002512068 563304973 /nfs/dbraw/zinc/30/49/73/563304973.db2.gz GFUKFZXSGYDXIF-UHFFFAOYSA-N 0 0 320.320 4.243 50 10 aggregator DICARN C(=C\c1nccc2ccccc21)\c1ccc(N2CCOCC2)cc1 ZINC000097475347 563350607 /nfs/dbraw/zinc/35/06/07/563350607.db2.gz XZAJTHUKMHRWSR-YFHOEESVSA-N 0 0 316.404 4.242 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000015134007 563407596 /nfs/dbraw/zinc/40/75/96/563407596.db2.gz YBTMJDLMKIJCCC-WJDWOHSUSA-N 0 0 311.772 4.059 50 10 DICARN CCOc1cccc(CNc2cc(Cl)ccc2OC)c1O ZINC000020005751 563416008 /nfs/dbraw/zinc/41/60/08/563416008.db2.gz UGLAQZRBHSVMRP-UHFFFAOYSA-N 0 0 307.777 4.065 50 10 DICARN CC(=Cc1ccccc1)C=C1SC(Nc2cccnc2)=NC1=O ZINC000027533673 563428018 /nfs/dbraw/zinc/42/80/18/563428018.db2.gz XQWFQRNOZYZXFI-WFVPKAAFSA-N 0 0 321.405 4.110 50 10 DICARN CC(C)C(=O)N[C@@H](c1ccco1)c1c(O)ccc2ccccc21 ZINC000000245299 563447458 /nfs/dbraw/zinc/44/74/58/563447458.db2.gz DWZVHUCCCGSHSA-SFHVURJKSA-N 0 0 309.365 4.000 50 10 DICARN O=[N+]([O-])c1ccc(Cl)c(NCc2cc(Cl)ccc2O)c1 ZINC000037060169 563458039 /nfs/dbraw/zinc/45/80/39/563458039.db2.gz OBWOAHGZZJWJCS-UHFFFAOYSA-N 0 0 313.140 4.219 50 10 DICARN COc1ccc(-c2ccc(C=C3SC(=O)NC3=S)o2)cc1 ZINC000013592222 563466744 /nfs/dbraw/zinc/46/67/44/563466744.db2.gz QFFRPFOVIHXFBV-JYRVWZFOSA-N 0 0 317.391 4.080 50 10 DICARN Fc1ccccc1-c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004623296 563477311 /nfs/dbraw/zinc/47/73/11/563477311.db2.gz SVIRROARUJDKGQ-UHFFFAOYSA-N 0 0 305.312 4.333 50 10 DICARN CCOc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000000088843 563527583 /nfs/dbraw/zinc/52/75/83/563527583.db2.gz XSAUGDAIWQVMPP-RVDMUPIBSA-N 0 0 310.324 4.206 50 10 DICARN Oc1c([C@@H](Nc2nccs2)c2ccco2)ccc2cccnc21 ZINC000000090445 563528355 /nfs/dbraw/zinc/52/83/55/563528355.db2.gz LPJQAEKOHLINHT-OAHLLOKOSA-N 0 0 323.377 4.191 50 10 DICARN COc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1 ZINC000000199986 563577418 /nfs/dbraw/zinc/57/74/18/563577418.db2.gz LLLAGPKZDDGWPV-UVTDQMKNSA-N 0 0 312.752 4.330 50 10 DICARN Cc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1N1CCCC1 ZINC000033673346 563595634 /nfs/dbraw/zinc/59/56/34/563595634.db2.gz MHUQFRNQUSYOMN-LGMDPLHJSA-N 0 0 304.393 4.088 50 10 DICARN CCCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccccc1O ZINC000008941105 563625367 /nfs/dbraw/zinc/62/53/67/563625367.db2.gz WVWPERFSFOWNCY-SFHVURJKSA-N 0 0 322.408 4.178 50 10 DICARN Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000169711996 563647782 /nfs/dbraw/zinc/64/77/82/563647782.db2.gz GYXARPDYRNLEGN-IIDMSEBBSA-N 0 0 307.353 4.004 50 10 DICARN O=C1N=C(N2CCCC2)S/C1=C\c1ccc(-c2ccccc2)o1 ZINC000000542956 563668102 /nfs/dbraw/zinc/66/81/02/563668102.db2.gz MWDKRJYELUTWOK-VBKFSLOCSA-N 0 0 324.405 4.013 50 10 DICARN COc1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000001191431 563793682 /nfs/dbraw/zinc/79/36/82/563793682.db2.gz BRPJGZYEWKTGOB-VBHSOAQHSA-N 0 0 322.364 4.430 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1c(C)cc(C)cc1C ZINC000006370264 563872661 /nfs/dbraw/zinc/87/26/61/563872661.db2.gz JNXYHRRTAXYNEU-PDGQHHTCSA-N 0 0 319.408 4.330 50 10 DICARN Cc1cc(C(=O)CSc2ccccn2)c(C)n1-c1ccccc1 ZINC000007180696 563904265 /nfs/dbraw/zinc/90/42/65/563904265.db2.gz ZRKABAHUZDNURA-UHFFFAOYSA-N 0 0 322.433 4.464 50 10 DICARN CCN(CC)c1ccc(CNc2cc(Cl)nc(C)n2)cc1F ZINC000170623353 563908832 /nfs/dbraw/zinc/90/88/32/563908832.db2.gz YYISFWWBODLLSB-UHFFFAOYSA-N 0 0 322.815 4.036 50 10 DICARN O=C(Nc1nnc(N=Nc2ccccc2)s1)c1ccccc1 ZINC000252600278 563917459 /nfs/dbraw/zinc/91/74/59/563917459.db2.gz DQGQBZMUTIAVAV-UHFFFAOYSA-N 0 0 309.354 4.206 50 10 DICARN Cc1cc(C(=O)N(C)[C@H](C)C2CC2)c(C)n1-c1ccccc1F ZINC000095350128 563931161 /nfs/dbraw/zinc/93/11/61/563931161.db2.gz HYBMZOMXCHCGPC-CYBMUJFWSA-N 0 0 314.404 4.104 50 10 DICARN COc1ccc2[nH]cc(/C=C3\C(=O)Nc4cccc(Cl)c43)c2c1 ZINC000008781890 563950817 /nfs/dbraw/zinc/95/08/17/563950817.db2.gz XVUXXBUDHZACRU-QPEQYQDCSA-N 0 0 324.767 4.323 50 10 DICARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCCC2)c1 ZINC000010091249 563958145 /nfs/dbraw/zinc/95/81/45/563958145.db2.gz MMJVPMACVGCYNS-UHFFFAOYSA-N 0 0 316.832 4.374 50 10 DICARN COc1ccc(/C=C\C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000033678839 568412899 /nfs/dbraw/zinc/41/28/99/568412899.db2.gz OUXKHRHTBMBHHH-KPAKVRDSSA-N 0 0 318.376 4.058 50 10 DICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N2 ZINC000012379708 1057088066 /nfs/dbraw/zinc/08/80/66/1057088066.db2.gz HATFVDDDLWQBBG-PYQAKABTSA-N 0 0 308.425 4.455 50 10 DICARN CC(C)(C)c1cnc(SCc2nccn2C(F)F)s1 ZINC000095413938 185358303 /nfs/dbraw/zinc/35/83/03/185358303.db2.gz YSPZCFXQHJWZIS-UHFFFAOYSA-N 0 0 303.403 4.325 50 10 DICARN COc1cccc(CNc2ccc(C(F)(F)F)c(C)c2)c1O ZINC000095457001 185370331 /nfs/dbraw/zinc/37/03/31/185370331.db2.gz SHYXMOCNFMBSTM-UHFFFAOYSA-N 0 0 311.303 4.340 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C)c(C)c1 ZINC000095471544 185372613 /nfs/dbraw/zinc/37/26/13/185372613.db2.gz IUINCWLEMRZGRM-UNOMPAQXSA-N 0 0 319.408 4.330 50 10 DICARN C[C@@H](NC(=O)C(C)(C)C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000072116036 191037753 /nfs/dbraw/zinc/03/77/53/191037753.db2.gz YFDNELKKEXUIQW-LSDHHAIUSA-N 0 0 302.462 4.146 50 10 DICARN COc1cccc(C2Nc3cccc4cccc(c43)N2)c1OC ZINC000000028674 180671202 /nfs/dbraw/zinc/67/12/02/180671202.db2.gz ZXCPEWASUSUSGE-UHFFFAOYSA-N 0 0 306.365 4.393 50 10 DICARN COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1C ZINC000000483137 180804667 /nfs/dbraw/zinc/80/46/67/180804667.db2.gz RMMZQEPDFYAPCB-BOPFTXTBSA-N 0 0 323.417 4.373 50 10 DICARN COc1ccccc1NC[C@@H](O)C[C@@H]1c2ccccc2C(C)=C1C ZINC000000571490 180824220 /nfs/dbraw/zinc/82/42/20/180824220.db2.gz CMXWAMAARQSCLK-LPHOPBHVSA-N 0 0 323.436 4.449 50 10 DICARN Cc1cc2n(n1)[C@@H](c1cc(C)ccc1O)Nc1ccc(C)cc1-2 ZINC000000818031 180835057 /nfs/dbraw/zinc/83/50/57/180835057.db2.gz AHXSRYQICMVUTA-IBGZPJMESA-N 0 0 305.381 4.153 50 10 DICARN Cc1cc2n(n1)[C@H](c1cc(C)ccc1O)Nc1ccc(C)cc1-2 ZINC000000818032 180835510 /nfs/dbraw/zinc/83/55/10/180835510.db2.gz AHXSRYQICMVUTA-LJQANCHMSA-N 0 0 305.381 4.153 50 10 DICARN Cc1csc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000003334460 181007752 /nfs/dbraw/zinc/00/77/52/181007752.db2.gz YMICUKPVXHRMEE-UHFFFAOYSA-N 0 0 311.410 4.111 50 10 DICARN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000003417667 181017032 /nfs/dbraw/zinc/01/70/32/181017032.db2.gz OAAAIEKRMKOSGE-UHFFFAOYSA-N 0 0 316.404 4.297 50 10 DICARN Cc1ccc2nc(-c3ccccn3)c(Nc3ccccc3)n2c1 ZINC000003909781 181057398 /nfs/dbraw/zinc/05/73/98/181057398.db2.gz CVANKQVPCGDSFB-UHFFFAOYSA-N 0 0 300.365 4.448 50 10 DICARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(C)C)[C@H]1CC=C[C@H]21 ZINC000003998671 181060810 /nfs/dbraw/zinc/06/08/10/181060810.db2.gz XGGJKNBTMWAYSB-HEHGZKQESA-N 0 0 302.374 4.103 50 10 DICARN COC(=O)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004172146 181081856 /nfs/dbraw/zinc/08/18/56/181081856.db2.gz JXLCUIWCBDHCOA-IEZWGBDMSA-N 0 0 305.377 4.300 50 10 DICARN Nc1nc(N=Nc2ccccc2)c(N=Nc2ccccc2)c(=O)[nH]1 ZINC000004114218 181075188 /nfs/dbraw/zinc/07/51/88/181075188.db2.gz HTNYSGPOFXUUOI-DQPVQCHKSA-N 0 0 319.328 4.183 50 10 DICARN CCC[C@@H]1N=C(c2ccc(OC)cc2)C[C@H](c2ccccc2O)N1 ZINC000004648108 181131371 /nfs/dbraw/zinc/13/13/71/181131371.db2.gz UUOZRNLRVQKZFI-UYAOXDASSA-N 0 0 324.424 4.051 50 10 DICARN Cc1nc2sccn2c1-c1csc(NCc2ccco2)n1 ZINC000004993385 181186373 /nfs/dbraw/zinc/18/63/73/181186373.db2.gz QIAAFPUTBZMCGT-UHFFFAOYSA-N 0 0 316.411 4.033 50 10 DICARN COc1ccc(C2=C/C(=C\c3ccccc3Cl)C(=O)O2)cc1 ZINC000005073312 181201310 /nfs/dbraw/zinc/20/13/10/181201310.db2.gz LLLAGPKZDDGWPV-GXDHUFHOSA-N 0 0 312.752 4.330 50 10 DICARN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1C1CC1 ZINC000005602990 181262242 /nfs/dbraw/zinc/26/22/42/181262242.db2.gz JNEYMYBIOHLKOV-XDHOZWIPSA-N 0 0 319.408 4.246 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3cccs3)S2)cc1 ZINC000005852042 181289898 /nfs/dbraw/zinc/28/98/98/181289898.db2.gz RFZNNYDZZMSUGK-UKTHLTGXSA-N 0 0 300.408 4.139 50 10 DICARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C)cc(C)n2n1 ZINC000006216162 181319478 /nfs/dbraw/zinc/31/94/78/181319478.db2.gz AJYZMDVFIADAED-UHFFFAOYSA-N 0 0 322.437 4.482 50 10 DICARN CCCCCSc1nnc2c(n1)OC(C)=Nc1ccccc1-2 ZINC000006721542 181376790 /nfs/dbraw/zinc/37/67/90/181376790.db2.gz WTMOSFSWHIVYTJ-UHFFFAOYSA-N 0 0 314.414 4.263 50 10 DICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncccc2C)cc1 ZINC000006821268 181394925 /nfs/dbraw/zinc/39/49/25/181394925.db2.gz FHUSTCORGNYPMP-UHFFFAOYSA-N 0 0 305.381 4.050 50 10 DICARN Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1-c1ccccc1 ZINC000006831616 181396482 /nfs/dbraw/zinc/39/64/82/181396482.db2.gz LVAYCHCYHGYGDO-UHFFFAOYSA-N 0 0 316.404 4.297 50 10 DICARN CC(C)c1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000015015227 181983639 /nfs/dbraw/zinc/98/36/39/181983639.db2.gz JYOQALYIHPNBNP-ZROIWOOFSA-N 0 0 305.468 4.420 50 10 DICARN Cc1cc(/C=C/C(=O)Nc2cccnc2)c(C)n1-c1ccccc1 ZINC000015826880 182018933 /nfs/dbraw/zinc/01/89/33/182018933.db2.gz IUAOTWBEENPHJE-ZHACJKMWSA-N 0 0 317.392 4.141 50 10 DICARN Oc1ccc(Cl)cc1CNc1cccc(Br)c1 ZINC000019941827 182168199 /nfs/dbraw/zinc/16/81/99/182168199.db2.gz NLRXOOKFAXPEAT-UHFFFAOYSA-N 0 0 312.594 4.420 50 10 DICARN CC(C)Oc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000020496707 182225195 /nfs/dbraw/zinc/22/51/95/182225195.db2.gz MEXOTWIELYNZHN-UHFFFAOYSA-N 0 0 324.424 4.326 50 10 DICARN COc1ccc(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000022135342 182310842 /nfs/dbraw/zinc/31/08/42/182310842.db2.gz PYCHTYALXKCVFA-UVTDQMKNSA-N 0 0 312.752 4.330 50 10 DICARN Cc1ccn2c(c1)nc(-c1ccccn1)c2Nc1ccccc1 ZINC000038149256 182994201 /nfs/dbraw/zinc/99/42/01/182994201.db2.gz KKCCGGIHUKLFDI-UHFFFAOYSA-N 0 0 300.365 4.448 50 10 DICARN CCOc1cccc(CNc2ccc(C(F)(F)F)cc2)c1O ZINC000044836420 183441253 /nfs/dbraw/zinc/44/12/53/183441253.db2.gz FNIXYBDUIRDFQP-UHFFFAOYSA-N 0 0 311.303 4.422 50 10 DICARN Cc1ccc(-c2noc([C@@H](C)Sc3nccs3)n2)cc1F ZINC000052914276 183880068 /nfs/dbraw/zinc/88/00/68/183880068.db2.gz TXGBUYTXXJBAIY-SECBINFHSA-N 0 0 321.402 4.494 50 10 DICARN Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000055371839 183983075 /nfs/dbraw/zinc/98/30/75/183983075.db2.gz FFTUHEHYJVENEZ-RVDMUPIBSA-N 0 0 311.431 4.401 50 10 DICARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccsc2)S1 ZINC000057399041 184037568 /nfs/dbraw/zinc/03/75/68/184037568.db2.gz JVLIJAUXEUHTCP-JYRVWZFOSA-N 0 0 300.408 4.139 50 10 DICARN COc1ccc(CNc2ccc(Br)c(C)c2)c(O)c1 ZINC000000041939 563211566 /nfs/dbraw/zinc/21/15/66/563211566.db2.gz USFRYORGKDNBEK-UHFFFAOYSA-N 0 0 322.202 4.084 50 10 DICARN CC1CCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)CC1 ZINC000000063512 563212546 /nfs/dbraw/zinc/21/25/46/563212546.db2.gz PZCOYXFJLCLFMJ-UVTDQMKNSA-N 0 0 320.845 4.042 50 10 DICARN CC[NH+](CC)Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000000123389 563220644 /nfs/dbraw/zinc/22/06/44/563220644.db2.gz FFIWPKDKGYYXEH-UHFFFAOYSA-N 0 0 323.392 4.007 50 10 aggregator,biogenic DICARN COc1ccc2c(c1)N[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000000155859 563225825 /nfs/dbraw/zinc/22/58/25/563225825.db2.gz KUFHEUJHSAJDFW-FQEVSTJZSA-N 0 0 319.408 4.067 50 10 DICARN Oc1ccccc1CNc1nc2c(s1)CCc1ccccc1-2 ZINC000000200973 563230266 /nfs/dbraw/zinc/23/02/66/563230266.db2.gz UQAGTTHQFCGGRS-UHFFFAOYSA-N 0 0 308.406 4.226 50 10 DICARN Nc1ccc(Oc2ccc3ncc(Br)cc3c2)cc1 ZINC000000289436 563236534 /nfs/dbraw/zinc/23/65/34/563236534.db2.gz CNTAJXWIZPZEGR-UHFFFAOYSA-N 0 0 315.170 4.372 50 10 DICARN CCCn1cnc2cc(NCc3ccc(OCC)cc3)ccc21 ZINC000001062800 563276334 /nfs/dbraw/zinc/27/63/34/563276334.db2.gz SAWDGIUGPUDWIF-UHFFFAOYSA-N 0 0 309.413 4.457 50 10 DICARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)o1 ZINC000001183709 563278703 /nfs/dbraw/zinc/27/87/03/563278703.db2.gz HOJWKSLEZLEKLH-ZROIWOOFSA-N 0 0 315.419 4.302 50 10 DICARN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000002940987 563318225 /nfs/dbraw/zinc/31/82/25/563318225.db2.gz DCEMBRSAZKUHSJ-GJYPPUQNSA-N 0 0 322.364 4.430 50 10 DICARN Cc1ccc(F)c(NCc2cc(Br)ccc2O)c1 ZINC000044836287 563462551 /nfs/dbraw/zinc/46/25/51/563462551.db2.gz QBIMRZGKPCPIRK-UHFFFAOYSA-N 0 0 310.166 4.214 50 10 DICARN Oc1c(F)cccc1CN(Cc1ccsc1)Cc1ccco1 ZINC000055060836 563471167 /nfs/dbraw/zinc/47/11/67/563471167.db2.gz XINWACPKBJHBHG-UHFFFAOYSA-N 0 0 317.385 4.388 50 10 DICARN O=CC1=CC(=NNc2ccc(Br)cc2)C=CC1=O ZINC000070461972 563497814 /nfs/dbraw/zinc/49/78/14/563497814.db2.gz DHCSPWPNILUEPW-FOCLMDBBSA-N 0 0 305.131 4.383 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C)cc1 ZINC000100040931 563545089 /nfs/dbraw/zinc/54/50/89/563545089.db2.gz RKUXIQJCMKOIGM-LDADJPATSA-N 0 0 305.381 4.022 50 10 DICARN O=C1c2ccccc2C(=O)C1C1c2ccccc2Cc2ccccc21 ZINC000103651479 563561095 /nfs/dbraw/zinc/56/10/95/563561095.db2.gz VHROBBLFOAUEGA-UHFFFAOYSA-N 0 0 324.379 4.418 50 10 DICARN CCc1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000000257163 563582416 /nfs/dbraw/zinc/58/24/16/563582416.db2.gz NCPIGKWVIZATAU-UHFFFAOYSA-N 0 0 306.203 4.329 50 10 DICARN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000000264290 563583396 /nfs/dbraw/zinc/58/33/96/563583396.db2.gz WTYCGPVTIZZJEE-JTDSTZFVSA-N 0 0 322.364 4.430 50 10 DICARN Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccccc2Cl)C1 ZINC000000462804 563617583 /nfs/dbraw/zinc/61/75/83/563617583.db2.gz OZDAJKLNBBLWEG-CYBMUJFWSA-N 0 0 307.180 4.138 50 10 DICARN CCc1cccc(C)c1NC=C1C(=O)N(c2ccccc2)N=C1C ZINC000044827024 563685010 /nfs/dbraw/zinc/68/50/10/563685010.db2.gz HJEAYUAVWZPKDR-QGOAFFKASA-N 0 0 319.408 4.276 50 10 DICARN Cc1cc2n(n1)[C@H](c1ccc(N(C)C)cc1)Nc1ccc(C)cc1-2 ZINC000000817729 563720563 /nfs/dbraw/zinc/72/05/63/563720563.db2.gz WJUKONFDYQYLHE-HXUWFJFHSA-N 0 0 318.424 4.205 50 10 DICARN CSC1=NC(=O)/C(=C/c2ccccc2C(F)(F)F)S1 ZINC000001395270 563817979 /nfs/dbraw/zinc/81/79/79/563817979.db2.gz ROSUPZSEHYMLBU-TWGQIWQCSA-N 0 0 303.330 4.039 50 10 DICARN Fc1cccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)c1 ZINC000001423378 563822817 /nfs/dbraw/zinc/82/28/17/563822817.db2.gz LJOZGTLEUVDWFH-UHFFFAOYSA-N 0 0 305.312 4.333 50 10 DICARN CC[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1O ZINC000084734735 563830442 /nfs/dbraw/zinc/83/04/42/563830442.db2.gz ZEJVBHMPZVYAFB-LJQANCHMSA-N 0 0 319.404 4.355 50 10 DICARN CCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001462123 563836452 /nfs/dbraw/zinc/83/64/52/563836452.db2.gz JYLDJLHPPBLWHX-PTNGSMBKSA-N 0 0 313.447 4.451 50 10 DICARN CC(C)(C(=O)Nc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000170676181 563917577 /nfs/dbraw/zinc/91/75/77/563917577.db2.gz YXVLEHBXIGSSIO-UHFFFAOYSA-N 0 0 322.330 4.204 50 10 DICARN Cc1cc(-c2csc(NC3CC3)n2)c(C)n1-c1ccccn1 ZINC000009417598 563955799 /nfs/dbraw/zinc/95/57/99/563955799.db2.gz DZCZQSKVKMQLPJ-UHFFFAOYSA-N 0 0 310.426 4.187 50 10 DICARN Cc1cccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)c1 ZINC000013137563 1040565689 /nfs/dbraw/zinc/56/56/89/1040565689.db2.gz FIRHMVWZUNESJL-LFIBNONCSA-N 0 0 308.406 4.386 50 10 DICARN O=C1N=C(NC2CCCCC2)SC1=Cc1cccc(Cl)c1 ZINC000007209197 1044650854 /nfs/dbraw/zinc/65/08/54/1044650854.db2.gz XUYSUHKTPXCKTH-UVTDQMKNSA-N 0 0 320.845 4.233 50 10 DICARN C(=C\c1ccc(N2CCOCC2)cc1)\c1nc2ccccc2s1 ZINC000033466925 1052777914 /nfs/dbraw/zinc/77/79/14/1052777914.db2.gz QNTNODUHWPAGCW-YFHOEESVSA-N 0 0 322.433 4.303 50 10 DICARN Cc1cc(C)c(/C=C2/SC(N3CCCCC3)=NC2=O)cc1C ZINC000169942285 1057637364 /nfs/dbraw/zinc/63/73/64/1057637364.db2.gz AAOVSOZEQVOONV-LFIBNONCSA-N 0 0 314.454 4.068 50 10 DICARN CC1=NN(c2ccccc2C)C(=O)C1=CNc1cc(C)ccc1C ZINC000095470882 185372746 /nfs/dbraw/zinc/37/27/46/185372746.db2.gz QTMUKVVOXHQKEJ-SFQUDFHCSA-N 0 0 319.408 4.330 50 10 DICARN COC(=O)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000000094409 180690437 /nfs/dbraw/zinc/69/04/37/180690437.db2.gz UQTHKOJLUAKIEL-DAYGRLMNSA-N 0 0 323.367 4.439 50 10 DICARN C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3)cc2)C1 ZINC000072446750 191169054 /nfs/dbraw/zinc/16/90/54/191169054.db2.gz QGMUAKWQFDWRQS-MRXNPFEDSA-N 0 0 323.440 4.245 50 10 DICARN C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3)cc2)C1 ZINC000072446751 191169474 /nfs/dbraw/zinc/16/94/74/191169474.db2.gz QGMUAKWQFDWRQS-INIZCTEOSA-N 0 0 323.440 4.245 50 10 DICARN CCNc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000001506888 180870772 /nfs/dbraw/zinc/87/07/72/180870772.db2.gz UIUBIWSLPJCGCX-UHFFFAOYSA-N 0 0 304.187 4.112 50 10 DICARN Cc1cc2c(n1-c1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)CC2=O ZINC000002512788 180929029 /nfs/dbraw/zinc/92/90/29/180929029.db2.gz VPHXPJWNBNQFPN-SECBINFHSA-N 0 0 318.760 4.112 50 10 DICARN O=C1/C(=C\c2ccsc2)SC(=S)N1Cc1ccccc1 ZINC000004482261 181113075 /nfs/dbraw/zinc/11/30/75/181113075.db2.gz XLYSLLQYHRXNPV-MDWZMJQESA-N 0 0 317.460 4.150 50 10 DICARN CSc1ccc(/C=C2/C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000004591205 181128160 /nfs/dbraw/zinc/12/81/60/181128160.db2.gz FYEUCFWEMCBYCZ-ATVHPVEESA-N 0 0 308.406 4.215 50 10 DICARN Cc1ccc(C2=C/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000004738999 181144463 /nfs/dbraw/zinc/14/44/63/181144463.db2.gz KKZKMUWGATWHGW-CXUHLZMHSA-N 0 0 321.332 4.193 50 10 DICARN Cc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)o1 ZINC000004754783 181148537 /nfs/dbraw/zinc/14/85/37/181148537.db2.gz HOJWKSLEZLEKLH-NTEUORMPSA-N 0 0 315.419 4.302 50 10 DICARN Cc1cc(NCc2ccc(N(C)C)cc2)ccc1Br ZINC000004773603 181150697 /nfs/dbraw/zinc/15/06/97/181150697.db2.gz MVRXNDAJBCSLGU-UHFFFAOYSA-N 0 0 319.246 4.436 50 10 DICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000004854875 181163815 /nfs/dbraw/zinc/16/38/15/181163815.db2.gz CWHDDTLXIGOBHV-HLIPFELVSA-N 0 0 304.393 4.472 50 10 DICARN O=[N+]([O-])c1cccc(NN=Nc2ccccc2Br)c1 ZINC000004951226 181178433 /nfs/dbraw/zinc/17/84/33/181178433.db2.gz HWLVLXLHVYZFTB-UHFFFAOYSA-N 0 0 321.134 4.468 50 10 DICARN CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000005008572 181189761 /nfs/dbraw/zinc/18/97/61/181189761.db2.gz JCCOTDXBJVBBNF-UXBLZVDNSA-N 0 0 318.250 4.215 50 10 DICARN CCC/C=C/c1ccc2c(c1OC)C(=O)c1ccccc1C2=O ZINC000005243723 181221162 /nfs/dbraw/zinc/22/11/62/181221162.db2.gz OBEBEBDKLQFWTO-VMPITWQZSA-N 0 0 306.361 4.284 50 10 DICARN CCCCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000005502633 181250889 /nfs/dbraw/zinc/25/08/89/181250889.db2.gz WTRRVZVZGBEHRD-SDNWHVSQSA-N 0 0 321.467 4.087 50 10 DICARN CC[C@H](C)NC(=O)c1ccc(-n2c(C)cc3c2CC[C@@H](C)C3)cc1 ZINC000006877927 181399831 /nfs/dbraw/zinc/39/98/31/181399831.db2.gz IORQXNHUKBDBNV-CABCVRRESA-N 0 0 324.468 4.439 50 10 DICARN CC(C)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000013838474 181905837 /nfs/dbraw/zinc/90/58/37/181905837.db2.gz FOJJVYFEEGTNSJ-VBKFSLOCSA-N 0 0 314.454 4.266 50 10 DICARN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccco1 ZINC000016161003 182036037 /nfs/dbraw/zinc/03/60/37/182036037.db2.gz KDGHLPCIZFMPQD-NTEUORMPSA-N 0 0 320.270 4.105 50 10 DICARN CCCCCCOc1ccccc1C(=O)Nc1ccc(N)cc1 ZINC000019736617 182140886 /nfs/dbraw/zinc/14/08/86/182140886.db2.gz RTIPPVVSQCGVJI-UHFFFAOYSA-N 0 0 312.413 4.480 50 10 DICARN C[C@@H](Cc1ccccc1)NC=C1C=C(c2ccccc2)OC1=S ZINC000100750656 193803810 /nfs/dbraw/zinc/80/38/10/193803810.db2.gz QEJLSAFSXFFHJS-LSVCFVEQSA-N 0 0 321.445 4.490 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/C=C\c1ccccc1 ZINC000033302271 182701157 /nfs/dbraw/zinc/70/11/57/182701157.db2.gz WFGSCPLXPFCAII-IGHDPAQPSA-N 0 0 302.377 4.357 50 10 DICARN C[C@@H](Sc1nccs1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000133245584 196324393 /nfs/dbraw/zinc/32/43/93/196324393.db2.gz OLHPAVGIUNZANZ-MNOVXSKESA-N 0 0 324.496 4.049 50 10 DICARN CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(N)cc2)c1C ZINC000000113772 563219294 /nfs/dbraw/zinc/21/92/94/563219294.db2.gz YVPACEHKDFRAEV-UHFFFAOYSA-N 0 0 320.392 4.212 50 10 DICARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1 ZINC000000359327 563244464 /nfs/dbraw/zinc/24/44/64/563244464.db2.gz AJBZLQWUUFGTMB-YBEGLDIGSA-N 0 0 310.784 4.455 50 10 DICARN CC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000001117323 563277916 /nfs/dbraw/zinc/27/79/16/563277916.db2.gz FDQRIQSXNTVGCK-GHXNOFRVSA-N 0 0 311.859 4.197 50 10 DICARN Cc1cccc(N2C(=O)/C(=C/c3ccco3)SC2=S)c1C ZINC000001208047 563279461 /nfs/dbraw/zinc/27/94/61/563279461.db2.gz NMMOSANBORKSRS-ZROIWOOFSA-N 0 0 315.419 4.302 50 10 DICARN COc1cc2c(cc1OC)/C(=C/c1ccc(N(C)C)cc1)C=C2 ZINC000001598187 563287518 /nfs/dbraw/zinc/28/75/18/563287518.db2.gz AGPRWMSPKUNAAF-RVDMUPIBSA-N 0 0 307.393 4.337 50 10 DICARN CC(C)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000002348337 563302982 /nfs/dbraw/zinc/30/29/82/563302982.db2.gz DEGQQXDDHNXZCL-WDZFZDKYSA-N 0 0 315.822 4.089 50 10 DICARN O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000013303262 563380274 /nfs/dbraw/zinc/38/02/74/563380274.db2.gz OEZWBJLEKBUTGH-GHXNOFRVSA-N 0 0 321.810 4.089 50 10 DICARN CN(C)c1ccc([C@H]2[C@H]3CCCc4ccccc4C3=NN2C)cc1 ZINC000013468746 563381796 /nfs/dbraw/zinc/38/17/96/563381796.db2.gz ZEGXDKXOBNMNHM-FPOVZHCZSA-N 0 0 319.452 4.096 50 10 DICARN O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccccc1 ZINC000013476488 563381970 /nfs/dbraw/zinc/38/19/70/563381970.db2.gz QNHPBANPDIIYFW-GXDHUFHOSA-N 0 0 315.394 4.232 50 10 DICARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000013533764 563382666 /nfs/dbraw/zinc/38/26/66/563382666.db2.gz LOPBISYCZQUJMP-ZDUSSCGKSA-N 0 0 323.392 4.026 50 10 DICARN Nc1ccc(NCc2cccc(CNc3ccc(N)cc3)c2)cc1 ZINC000000391516 563414312 /nfs/dbraw/zinc/41/43/12/563414312.db2.gz FASAHBTVMQATOS-UHFFFAOYSA-N 0 0 318.424 4.075 50 10 DICARN Oc1ccc(Br)cc1CNc1ccccc1Cl ZINC000044836199 563462228 /nfs/dbraw/zinc/46/22/28/563462228.db2.gz SDPKEUARMWTJQS-UHFFFAOYSA-N 0 0 312.594 4.420 50 10 DICARN Oc1ccc(Br)cc1CNc1cc(F)ccc1F ZINC000044836193 563462232 /nfs/dbraw/zinc/46/22/32/563462232.db2.gz YYZIPXANRSPWCP-UHFFFAOYSA-N 0 0 314.129 4.045 50 10 DICARN CC(C)(C)c1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1 ZINC000000069863 563519647 /nfs/dbraw/zinc/51/96/47/563519647.db2.gz IVDFKPMUDCRTNH-NTCAYCPXSA-N 0 0 314.454 4.050 50 10 DICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(C)c1 ZINC000100040772 563537591 /nfs/dbraw/zinc/53/75/91/563537591.db2.gz BJWJCDLVDFWWGK-XDHOZWIPSA-N 0 0 319.408 4.330 50 10 DICARN c1cnn(-c2ccc(/N=N/c3ccc(-n4cccn4)cc3)cc2)c1 ZINC000005002520 563623735 /nfs/dbraw/zinc/62/37/35/563623735.db2.gz CQBLBFSTFWOFFK-QURGRASLSA-N 0 0 314.352 4.473 50 10 DICARN COc1ccccc1NC[C@H](O)C[C@@H]1c2ccccc2C(C)=C1C ZINC000000571492 563672158 /nfs/dbraw/zinc/67/21/58/563672158.db2.gz CMXWAMAARQSCLK-APWZRJJASA-N 0 0 323.436 4.449 50 10 DICARN COC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 ZINC000006950665 563709659 /nfs/dbraw/zinc/70/96/59/563709659.db2.gz AXPWJTYFBXKYOP-HDMKZQKVSA-N 0 0 323.367 4.439 50 10 DICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000003477347 563801533 /nfs/dbraw/zinc/80/15/33/563801533.db2.gz CTOFYWHKEDPYML-UHFFFAOYSA-N 0 0 308.356 4.486 50 10 DICARN Fc1cccc(F)c1-c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000001422041 563822904 /nfs/dbraw/zinc/82/29/04/563822904.db2.gz SVOZZNNYSFYMSG-UHFFFAOYSA-N 0 0 323.302 4.473 50 10 DICARN Cc1cc2c(c(C)c1Cl)CN(c1ccc3c(c1)OCO3)CO2 ZINC000001422000 563823101 /nfs/dbraw/zinc/82/31/01/563823101.db2.gz DMXKQFPBYNQZOY-UHFFFAOYSA-N 0 0 317.772 4.042 50 10 DICARN COC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 ZINC000006950642 563900609 /nfs/dbraw/zinc/90/06/09/563900609.db2.gz AXPWJTYFBXKYOP-RLFYNMQTSA-N 0 0 323.367 4.439 50 10 DICARN CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000013914009 563910170 /nfs/dbraw/zinc/91/01/70/563910170.db2.gz DXQMGVWDXFCGGB-RGEXLXHISA-N 0 0 320.392 4.282 50 10 DICARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000027501305 563920995 /nfs/dbraw/zinc/92/09/95/563920995.db2.gz NWZFTJOSKWIRCJ-YVLHZVERSA-N 0 0 310.784 4.455 50 10 DICARN OCc1ccccc1NCc1cc(-c2ccccc2)ccc1O ZINC000095971906 563933336 /nfs/dbraw/zinc/93/33/36/563933336.db2.gz DZYIQMGVIGFQCY-UHFFFAOYSA-N 0 0 305.377 4.164 50 10 DICARN COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000227059452 563941198 /nfs/dbraw/zinc/94/11/98/563941198.db2.gz WTYCGPVTIZZJEE-GPMSIDNRSA-N 0 0 322.364 4.430 50 10 DICARN CCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S ZINC000005504755 1035650232 /nfs/dbraw/zinc/65/02/32/1035650232.db2.gz LNSVKUNCXGQSIY-GXDHUFHOSA-N 0 0 305.468 4.421 50 10 DICARN Cc1cc(C(=O)Nc2ccncc2C)c(C)n1-c1ccc(F)cc1 ZINC000107287767 1041866438 /nfs/dbraw/zinc/86/64/38/1041866438.db2.gz ASOKTNUBBBAFQY-UHFFFAOYSA-N 0 0 323.371 4.189 50 10 DICARN CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)ccc1O ZINC000007886665 1053138946 /nfs/dbraw/zinc/13/89/46/1053138946.db2.gz VLVCUPKXEOQAJL-MRXNPFEDSA-N 0 0 316.788 4.022 50 10 DICARN O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1C1CC1 ZINC000073139263 1054710262 /nfs/dbraw/zinc/71/02/62/1054710262.db2.gz CVYQGKYDULPNAG-GDNBJRDFSA-N 0 0 311.431 4.203 50 10 DICARN O=C1/C(=C/[C@H]2CC=CCC2)SC(=S)N1C1CCCCC1 ZINC000005456102 1056046753 /nfs/dbraw/zinc/04/67/53/1056046753.db2.gz MQNBIOYBSHKTFZ-PBBNAPBQSA-N 0 0 307.484 4.420 50 10 DICARN O=C1N=C(NC2CCCCC2)SC1=CC=Cc1ccccc1 ZINC000096669677 185385219 /nfs/dbraw/zinc/38/52/19/185385219.db2.gz ZPENEHQTQPUGCD-YTLDOUCOSA-N 0 0 312.438 4.135 50 10 DICARN O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(Cl)cc1 ZINC000000064001 180681403 /nfs/dbraw/zinc/68/14/03/180681403.db2.gz LOSOWJWFLZCDOF-SDNWHVSQSA-N 0 0 320.845 4.186 50 10 DICARN COc1ccccc1/C=C1/C=C(c2ccc(C)cc2C)OC1=O ZINC000000066696 180682447 /nfs/dbraw/zinc/68/24/47/180682447.db2.gz MSBZYKRZMMMWOW-WJDWOHSUSA-N 0 0 306.361 4.293 50 10 DICARN CCOc1ccc(/C=C2/SC(c3ccccc3)=NC2=O)cc1C ZINC000000115750 180697640 /nfs/dbraw/zinc/69/76/40/180697640.db2.gz LYALSRVVBNTLTN-SFQUDFHCSA-N 0 0 323.417 4.455 50 10 DICARN Nc1ccc(CCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001397746 180860633 /nfs/dbraw/zinc/86/06/33/180860633.db2.gz SUDJDSORPYSFGP-UHFFFAOYSA-N 0 0 300.711 4.121 50 10 DICARN O=[N+]([O-])c1ccccc1-c1ccc(C(=S)N2CCCCC2)o1 ZINC000001453178 180867988 /nfs/dbraw/zinc/86/79/88/180867988.db2.gz POEWMICVRKFUJY-UHFFFAOYSA-N 0 0 316.382 4.016 50 10 DICARN COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 ZINC000004140394 181077886 /nfs/dbraw/zinc/07/78/86/181077886.db2.gz YERKLJHNVJXSHB-CKFHNAJUSA-N 0 0 322.364 4.430 50 10 DICARN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 ZINC000004450167 181109777 /nfs/dbraw/zinc/10/97/77/181109777.db2.gz MCNJIEZWPGNTHD-QWQRMKEZSA-N 0 0 321.380 4.433 50 10 DICARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1C1CCCCC1 ZINC000004387517 181106169 /nfs/dbraw/zinc/10/61/69/181106169.db2.gz NXBVXBGQGIWKNP-NDUUIVGLSA-N 0 0 319.451 4.370 50 10 DICARN CC[C@@H](C)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000004865490 181165372 /nfs/dbraw/zinc/16/53/72/181165372.db2.gz UKKGAEIWCWIXLN-AWKYHTGZSA-N 0 0 303.452 4.243 50 10 DICARN COc1ccc(NN=Nc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004951196 181178172 /nfs/dbraw/zinc/17/81/72/181178172.db2.gz VVIARDJBZTUWLQ-UHFFFAOYSA-N 0 0 306.709 4.368 50 10 DICARN CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S ZINC000005201157 181216542 /nfs/dbraw/zinc/21/65/42/181216542.db2.gz VXQCGFYXORIKSM-RMKNXTFCSA-N 0 0 318.250 4.215 50 10 DICARN Cc1cccc(NC2=NC(=O)C(=Cc3cccs3)S2)c1 ZINC000005547730 181256260 /nfs/dbraw/zinc/25/62/60/181256260.db2.gz WSCBLVGRDSUBDR-UKTHLTGXSA-N 0 0 300.408 4.139 50 10 DICARN CCc1ccc(N2N=C(C)/C(=C\c3ccc(C)s3)C2=O)cc1 ZINC000005719388 181276141 /nfs/dbraw/zinc/27/61/41/181276141.db2.gz NXXXRIMFFNVPRD-GZTJUZNOSA-N 0 0 310.422 4.425 50 10 DICARN O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000005773444 181282809 /nfs/dbraw/zinc/28/28/09/181282809.db2.gz ZFDOUJFPZLIHAH-RVDMUPIBSA-N 0 0 311.431 4.088 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3cccs3)S2)c(C)c1 ZINC000005850554 181290114 /nfs/dbraw/zinc/29/01/14/181290114.db2.gz BZHFOPRUBSDGHY-NTEUORMPSA-N 0 0 314.435 4.447 50 10 DICARN O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1c1cccnc1 ZINC000006190160 181318348 /nfs/dbraw/zinc/31/83/48/181318348.db2.gz FGAYXLYDAUFBHP-YLWCQUKYSA-N 0 0 324.430 4.044 50 10 DICARN CN(C)c1ccc(/C=C/c2ccnc3c2cccc3[N+](=O)[O-])cc1 ZINC000006375068 181334928 /nfs/dbraw/zinc/33/49/28/181334928.db2.gz RMJYQZOCZQRSIH-RMKNXTFCSA-N 0 0 319.364 4.379 50 10 DICARN Cc1ccc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)o1 ZINC000007165557 181443184 /nfs/dbraw/zinc/44/31/84/181443184.db2.gz QSDJJOMQEKDBFT-DHDCSXOGSA-N 0 0 312.394 4.287 50 10 DICARN Cc1ccccc1C=C1SC(Nc2ccc(F)cc2)=NC1=O ZINC000016745741 182060301 /nfs/dbraw/zinc/06/03/01/182060301.db2.gz JHBVZLBBVANHSY-GDNBJRDFSA-N 0 0 312.369 4.217 50 10 DICARN Cc1cc(C(=O)N2CCCC[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000020816304 182248079 /nfs/dbraw/zinc/24/80/79/182248079.db2.gz TWQAYCGURXLQPF-CYBMUJFWSA-N 0 0 314.404 4.248 50 10 DICARN CCCc1cc([C@@H]2CCCN2Cc2cc(Cl)ccc2O)no1 ZINC000021720103 182285822 /nfs/dbraw/zinc/28/58/22/182285822.db2.gz QSOWIYOSXACDDF-INIZCTEOSA-N 0 0 320.820 4.323 50 10 DICARN CCCc1cc([C@H]2CCCN2Cc2cc(Cl)ccc2O)no1 ZINC000021720105 182285968 /nfs/dbraw/zinc/28/59/68/182285968.db2.gz QSOWIYOSXACDDF-MRXNPFEDSA-N 0 0 320.820 4.323 50 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CCC[C@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000078939416 563930073 /nfs/dbraw/zinc/93/00/73/563930073.db2.gz XCRKXCHKIFLGPQ-HNNXBMFYSA-N 0 0 315.413 4.340 50 10 DICARN Cc1ccc(-c2ccc(C=C3SC(=O)NC3=S)o2)cc1 ZINC000004247303 563945525 /nfs/dbraw/zinc/94/55/25/563945525.db2.gz RLGMEBXDBRCEQM-MDWZMJQESA-N 0 0 301.392 4.380 50 10 DICARN CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186175760 568418008 /nfs/dbraw/zinc/41/80/08/568418008.db2.gz JHIDNDMRJWKVRJ-LBPRGKRZSA-N 0 0 315.200 4.236 50 10 DICARN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000002474445 1040083899 /nfs/dbraw/zinc/08/38/99/1040083899.db2.gz PBFILKVCIGDQFW-JTDSTZFVSA-N 0 0 323.367 4.439 50 10 DICARN CN=c1scc(-c2cc(C)n(-c3ccc(C)cc3)c2C)n1C ZINC000606347485 1040112423 /nfs/dbraw/zinc/11/24/23/1040112423.db2.gz DPGCCAUOXJZJED-UHFFFAOYSA-N 0 0 311.454 4.000 50 10 DICARN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc2ccccc2s1 ZINC000005130042 1044775095 /nfs/dbraw/zinc/77/50/95/1044775095.db2.gz 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CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 ZINC000005091583 181202295 /nfs/dbraw/zinc/20/22/95/181202295.db2.gz HATFVDDDLWQBBG-FORWCCJISA-N 0 0 308.425 4.455 50 10 DICARN CCCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S ZINC000005502031 181250463 /nfs/dbraw/zinc/25/04/63/181250463.db2.gz GPZNCCJUJMROJY-SDNWHVSQSA-N 0 0 321.467 4.174 50 10 DICARN CC(C)OC(=O)c1sc2nc(-c3ccccc3)ccc2c1N ZINC000006238152 181321811 /nfs/dbraw/zinc/32/18/11/181321811.db2.gz FPTRIRLZNAUFJZ-UHFFFAOYSA-N 0 0 312.394 4.111 50 10 DICARN Cc1ccsc1/C=C1/SC(N2C[C@H](C)C[C@H](C)C2)=NC1=O ZINC000096346344 193614708 /nfs/dbraw/zinc/61/47/08/193614708.db2.gz VTOJKUFCBFUONI-WMNKIYBBSA-N 0 0 320.483 4.005 50 10 DICARN CCCCSc1nnc2c(n1)OC(CC)=Nc1ccccc1-2 ZINC000015017091 181983718 /nfs/dbraw/zinc/98/37/18/181983718.db2.gz XGEOBHHICAVBJL-UHFFFAOYSA-N 0 0 314.414 4.263 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cc(C)ccc1C ZINC000016292695 182039396 /nfs/dbraw/zinc/03/93/96/182039396.db2.gz KAPZRZXSTIUFFB-PDGQHHTCSA-N 0 0 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DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000013590630 563383460 /nfs/dbraw/zinc/38/34/60/563383460.db2.gz PWNCKHSSTFYPTC-WJDWOHSUSA-N 0 0 311.772 4.059 50 10 DICARN CCOc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000013940883 563392652 /nfs/dbraw/zinc/39/26/52/563392652.db2.gz UBYWEXOXVQQOJO-SFQUDFHCSA-N 0 0 306.361 4.375 50 10 DICARN CN(C)c1ccc(/C=C/c2ccnc3ccc([N+](=O)[O-])cc23)cc1 ZINC000036381129 563417103 /nfs/dbraw/zinc/41/71/03/563417103.db2.gz IOMNYJNJYSSTQF-ZZXKWVIFSA-N 0 0 319.364 4.379 50 10 DICARN CCC/C=C\c1ccc2c(c1OC)C(=O)c1ccccc1C2=O ZINC000025540761 563423703 /nfs/dbraw/zinc/42/37/03/563423703.db2.gz OBEBEBDKLQFWTO-YVMONPNESA-N 0 0 306.361 4.284 50 10 DICARN Cc1cccc(CN(Cc2nccs2)Cc2ccccc2)c1O ZINC000055053597 563471143 /nfs/dbraw/zinc/47/11/43/563471143.db2.gz JGPPQODRJHGNNB-UHFFFAOYSA-N 0 0 324.449 4.360 50 10 DICARN Cc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3ccccc3O)C2)cc1 ZINC000000224317 563580065 /nfs/dbraw/zinc/58/00/65/563580065.db2.gz DORWSYGQYULPMT-AZUAARDMSA-N 0 0 308.425 4.206 50 10 DICARN CNc1ccc(C)cc1C(=O)c1ccc(Br)cc1 ZINC000000243139 563581063 /nfs/dbraw/zinc/58/10/63/563581063.db2.gz XLGQZCJWTRHIIR-UHFFFAOYSA-N 0 0 304.187 4.030 50 10 DICARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccco1 ZINC000100540769 563595248 /nfs/dbraw/zinc/59/52/48/563595248.db2.gz DIYYOKZXUBRDOO-XYOKQWHBSA-N 0 0 321.163 4.393 50 10 DICARN COc1cc(N(C)C)c(OC)cc1/C=C1/C=Cc2ccccc21 ZINC000017354422 563627306 /nfs/dbraw/zinc/62/73/06/563627306.db2.gz CMFPYOKEZMUKHL-PTNGSMBKSA-N 0 0 307.393 4.337 50 10 DICARN COc1cc(OC)c(NCc2ccc(N(C)C)cc2)cc1Cl ZINC000000409934 563630312 /nfs/dbraw/zinc/63/03/12/563630312.db2.gz LJNKQMLCAWLSFL-UHFFFAOYSA-N 0 0 320.820 4.035 50 10 DICARN CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1cccc(C)c1 ZINC000101123091 563653996 /nfs/dbraw/zinc/65/39/96/563653996.db2.gz MNRVTYDLZKNKGM-LDADJPATSA-N 0 0 305.381 4.022 50 10 DICARN NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000101319083 563654920 /nfs/dbraw/zinc/65/49/20/563654920.db2.gz YMCZVBKCPVOUFC-RVKKMQEKSA-N 0 0 324.811 4.265 50 10 DICARN Clc1ccc(-c2nc(CSc3nccs3)no2)cc1 ZINC000048876221 563699674 /nfs/dbraw/zinc/69/96/74/563699674.db2.gz HJPOYEFWSVMYFY-UHFFFAOYSA-N 0 0 309.803 4.139 50 10 DICARN Cc1cc2n(n1)[C@H](c1cc(C)ccc1O)Nc1c(C)cccc1-2 ZINC000000818140 563721171 /nfs/dbraw/zinc/72/11/71/563721171.db2.gz CKNCLKDFDPOYJH-LJQANCHMSA-N 0 0 305.381 4.153 50 10 DICARN CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001005018 563786760 /nfs/dbraw/zinc/78/67/60/563786760.db2.gz VCKNZDHREPSIRI-YHYXMXQVSA-N 0 0 318.250 4.215 50 10 DICARN Cc1cc2nccc(-c3ccc(-n4c(C)ccc4C)cc3)n2n1 ZINC000001386315 563815085 /nfs/dbraw/zinc/81/50/85/563815085.db2.gz LRVBIWSCUFWFQN-UHFFFAOYSA-N 0 0 302.381 4.112 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3cccs3)S2)cc1C ZINC000001452350 563836098 /nfs/dbraw/zinc/83/60/98/563836098.db2.gz BDJBMVCZLQHUDS-ZROIWOOFSA-N 0 0 314.435 4.447 50 10 aggregator DICARN CCOc1ccc(N=Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000254409152 563850260 /nfs/dbraw/zinc/85/02/60/563850260.db2.gz NMBHOMSCNRZJGR-UHFFFAOYSA-N 0 0 316.273 4.317 50 10 DICARN COc1ccc(N=Nc2c(N)n[nH]c2-c2ccc(C)cc2)cc1 ZINC000252612948 563883852 /nfs/dbraw/zinc/88/38/52/563883852.db2.gz IXQAZYCLIUIKBE-UHFFFAOYSA-N 0 0 307.357 4.391 50 10 DICARN CC[C@@H](C)NC(=O)c1ccc(-n2c(C)cc3c2CC[C@H](C)C3)cc1 ZINC000006877924 563897908 /nfs/dbraw/zinc/89/79/08/563897908.db2.gz IORQXNHUKBDBNV-LSDHHAIUSA-N 0 0 324.468 4.439 50 10 DICARN Cc1ccc(C)c(NC(=O)/C=C\c2ccc3c(c2)CCCN3C)c1 ZINC000096314026 563936330 /nfs/dbraw/zinc/93/63/30/563936330.db2.gz HONZJPCZPBLPBY-LUAWRHEFSA-N 0 0 320.436 4.338 50 10 DICARN COc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000013562564 568413130 /nfs/dbraw/zinc/41/31/30/568413130.db2.gz HQFYDZBANYJBNB-IIDMSEBBSA-N 0 0 322.364 4.430 50 10 DICARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccccc1 ZINC000013476474 1036262565 /nfs/dbraw/zinc/26/25/65/1036262565.db2.gz LZYHDFCLWZOABI-GXDHUFHOSA-N 0 0 315.394 4.232 50 10 DICARN CCN(CC)c1ccc(CNc2ccc3c(c2)ncn3C)cc1 ZINC000000423339 1039945928 /nfs/dbraw/zinc/94/59/28/1039945928.db2.gz QSBGKVSUQPMRSX-UHFFFAOYSA-N 0 0 308.429 4.032 50 10 DICARN CCN1C(=O)/C(=C\C=C\c2ccccc2Cl)SC1=S ZINC000013602887 1044464441 /nfs/dbraw/zinc/46/44/41/1044464441.db2.gz BQGRWBGUZRUKOV-SWCFZJNMSA-N 0 0 309.843 4.117 50 10 DICARN O=C1N=C(NC2CCCC2)SC1=Cc1cccc2ccccc12 ZINC000096669658 185385209 /nfs/dbraw/zinc/38/52/09/185385209.db2.gz AFEQBBLQFDXGOQ-SFQUDFHCSA-N 0 0 322.433 4.342 50 10 DICARN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(Cl)cc1 ZINC000096669680 185385378 /nfs/dbraw/zinc/38/53/78/185385378.db2.gz ZYNJLXRDPJSWHD-GXDHUFHOSA-N 0 0 320.845 4.233 50 10 DICARN CC(=O)Nc1cc(F)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000017354026 190642935 /nfs/dbraw/zinc/64/29/35/190642935.db2.gz ICGRNBQHIVMSMS-VHEBQXMUSA-N 0 0 320.255 4.247 50 10 DICARN CC1=C(C(=O)OCCc2ccccc2)Sc2ccccc2N1 ZINC000000110017 180696126 /nfs/dbraw/zinc/69/61/26/180696126.db2.gz YQZFWNDSEARPOZ-UHFFFAOYSA-N 0 0 311.406 4.222 50 10 DICARN COc1cccc(CNc2ccc(Br)cc2C)c1O ZINC000000409526 180778982 /nfs/dbraw/zinc/77/89/82/180778982.db2.gz HAOOCEJUOJNIKM-UHFFFAOYSA-N 0 0 322.202 4.084 50 10 DICARN Cc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1C ZINC000001022569 180841646 /nfs/dbraw/zinc/84/16/46/180841646.db2.gz BDXNCYXMFLUTDH-ZROIWOOFSA-N 0 0 315.419 4.302 50 10 DICARN Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000003119725 180982966 /nfs/dbraw/zinc/98/29/66/180982966.db2.gz SKDAFYQRLRQOGP-UHFFFAOYSA-N 0 0 301.695 4.493 50 10 DICARN Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(C)cc1 ZINC000003893034 181052855 /nfs/dbraw/zinc/05/28/55/181052855.db2.gz MBPROHMRLWZAEI-UHFFFAOYSA-N 0 0 310.441 4.071 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1c(C)cccc1C ZINC000004050478 181066551 /nfs/dbraw/zinc/06/65/51/181066551.db2.gz SYDQBNVXAXRDHG-ATVHPVEESA-N 0 0 305.381 4.022 50 10 DICARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000004132266 181077344 /nfs/dbraw/zinc/07/73/44/181077344.db2.gz WQNGPYKUGFGUOM-RLFYNMQTSA-N 0 0 322.364 4.430 50 10 DICARN COc1ccc(/N=N/c2ccc(OC)c(OC)c2)cc1OC ZINC000004336607 181099524 /nfs/dbraw/zinc/09/95/24/181099524.db2.gz XHNBRGZASXVTTA-ISLYRVAYSA-N 0 0 302.330 4.136 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3cccc(F)c3)S2)cc1 ZINC000004468524 181111289 /nfs/dbraw/zinc/11/12/89/181111289.db2.gz UIMDFKNBCMIBJZ-XNTDXEJSSA-N 0 0 312.369 4.217 50 10 DICARN CCCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000004815954 181156107 /nfs/dbraw/zinc/15/61/07/181156107.db2.gz DJSHSWRNKNMFFX-FMIVXFBMSA-N 0 0 311.859 4.341 50 10 DICARN O=C1/C(=C\[C@H]2CC=CCC2)SC(=S)N1C1CCCCC1 ZINC000004820484 181156496 /nfs/dbraw/zinc/15/64/96/181156496.db2.gz MQNBIOYBSHKTFZ-SEVUAYLXSA-N 0 0 307.484 4.420 50 10 DICARN Cc1ccc(C)c(C2=C/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)c1 ZINC000004951584 181178291 /nfs/dbraw/zinc/17/82/91/181178291.db2.gz WYAAEJCSTJYESB-OVCLIPMQSA-N 0 0 320.344 4.013 50 10 DICARN CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000004955214 181179025 /nfs/dbraw/zinc/17/90/25/181179025.db2.gz SXNSXXMBFHGHDC-FMIVXFBMSA-N 0 0 311.859 4.341 50 10 DICARN CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000005201090 181216130 /nfs/dbraw/zinc/21/61/30/181216130.db2.gz VOYFZNCUTKAVRU-UXBLZVDNSA-N 0 0 318.250 4.215 50 10 DICARN Cc1ccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc1 ZINC000005214625 181217625 /nfs/dbraw/zinc/21/76/25/181217625.db2.gz CDNXSRIPKSISHM-WJDWOHSUSA-N 0 0 308.406 4.386 50 10 DICARN CC[C@@H](C)[C@H](Nc1c2ccccc2[nH+]c2ccccc21)C(=O)[O-] ZINC000005531358 181254375 /nfs/dbraw/zinc/25/43/75/181254375.db2.gz VIXKCWTWOBFMSB-PXAZEXFGSA-N 0 0 308.381 4.299 50 10 DICARN C(=C/c1ccc2ccccc2n1)\c1ccc(N2CCOCC2)cc1 ZINC000006623602 181362356 /nfs/dbraw/zinc/36/23/56/181362356.db2.gz AKAGGWSNVWAIRP-WEVVVXLNSA-N 0 0 316.404 4.242 50 10 DICARN Nc1ccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000205334491 201428279 /nfs/dbraw/zinc/42/82/79/201428279.db2.gz UHNZDGHDIKSVEL-UHFFFAOYSA-N 0 0 314.392 4.424 50 10 DICARN CCCCn1cnc2cc(NCc3ccccc3OC)ccc21 ZINC000006703919 181375103 /nfs/dbraw/zinc/37/51/03/181375103.db2.gz NJUGVNGDKWEUGI-UHFFFAOYSA-N 0 0 309.413 4.457 50 10 DICARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccsc3)S2)c1 ZINC000006831636 181396629 /nfs/dbraw/zinc/39/66/29/181396629.db2.gz BFWOJQBSCBHXIO-RIYZIHGNSA-N 0 0 314.435 4.447 50 10 DICARN Cc1ccsc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000013547603 181860442 /nfs/dbraw/zinc/86/04/42/181860442.db2.gz INLUHCXCXYTBKQ-LCYFTJDESA-N 0 0 317.460 4.462 50 10 DICARN CCCOc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000015857401 182021744 /nfs/dbraw/zinc/02/17/44/182021744.db2.gz WMOORMMPJQJUPD-UVTDQMKNSA-N 0 0 321.467 4.085 50 10 DICARN CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000019736803 182140879 /nfs/dbraw/zinc/14/08/79/182140879.db2.gz ZXTOHUBZLJDIMN-KGLIPLIRSA-N 0 0 312.413 4.188 50 10 DICARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000020390544 182213453 /nfs/dbraw/zinc/21/34/53/182213453.db2.gz NIUGSOFGISBGCP-AWEZNQCLSA-N 0 0 307.180 4.138 50 10 DICARN CCOc1ccc(N2Cc3ccc(Br)cc3C2)cc1 ZINC000022023068 182304556 /nfs/dbraw/zinc/30/45/56/182304556.db2.gz GVADRUJDVZAQPC-UHFFFAOYSA-N 0 0 318.214 4.368 50 10 DICARN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccs2)cc1 ZINC000022371741 182320058 /nfs/dbraw/zinc/32/00/58/182320058.db2.gz YMFRJIADPUXIOG-UHFFFAOYSA-N 0 0 310.422 4.086 50 10 DICARN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)C1CCCC1 ZINC000065608478 184372535 /nfs/dbraw/zinc/37/25/35/184372535.db2.gz ZEQKDJRLAFVRCG-UHFFFAOYSA-N 0 0 310.441 4.417 50 10 DICARN CC1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)CC1 ZINC000000051673 563212076 /nfs/dbraw/zinc/21/20/76/563212076.db2.gz DIVSAMJJAPQARK-UVTDQMKNSA-N 0 0 320.845 4.042 50 10 DICARN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1O ZINC000000228767 563231546 /nfs/dbraw/zinc/23/15/46/563231546.db2.gz VPSWFBIJAAALET-UHFFFAOYSA-N 0 0 306.365 4.480 50 10 DICARN COc1cc(C2Nc3cccc4cccc(c43)N2)cc(OC)c1O ZINC000000232264 563232126 /nfs/dbraw/zinc/23/21/26/563232126.db2.gz SLPOXKWJWGJWPE-UHFFFAOYSA-N 0 0 322.364 4.099 50 10 DICARN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000446563 563255486 /nfs/dbraw/zinc/25/54/86/563255486.db2.gz JQKUSMYLIRFCPC-GXDHUFHOSA-N 0 0 312.752 4.330 50 10 DICARN O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1 ZINC000001043494 563275310 /nfs/dbraw/zinc/27/53/10/563275310.db2.gz AVOLWSYTUDOYJG-XFXZXTDPSA-N 0 0 303.433 4.154 50 10 aggregator DICARN CCOc1ccc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1 ZINC000001164963 563278658 /nfs/dbraw/zinc/27/86/58/563278658.db2.gz GTQCXWCIEHCABK-UXEDPAHQSA-N 0 0 321.467 4.085 50 10 DICARN O=C1NC(=S)S/C1=C\c1ccc(-c2ccccc2Cl)o1 ZINC000012375686 563367068 /nfs/dbraw/zinc/36/70/68/563367068.db2.gz IHYIQEBEGTWEDV-GHXNOFRVSA-N 0 0 321.810 4.089 50 10 DICARN NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000229971410 563375482 /nfs/dbraw/zinc/37/54/82/563375482.db2.gz YMCZVBKCPVOUFC-RKVPGOIHSA-N 0 0 324.811 4.265 50 10 DICARN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 ZINC000013471378 563381814 /nfs/dbraw/zinc/38/18/14/563381814.db2.gz KUIVETCXSLFXSG-IIDMSEBBSA-N 0 0 307.353 4.125 50 10 DICARN COc1cccc2nccc(/C=C/c3ccc(N(C)C)cc3)c21 ZINC000036381228 563455459 /nfs/dbraw/zinc/45/54/59/563455459.db2.gz HHMBNJVUDHMGSO-JXMROGBWSA-N 0 0 304.393 4.480 50 10 DICARN Cc1cc(NCc2cc(Br)ccc2O)ccc1F ZINC000044836248 563462193 /nfs/dbraw/zinc/46/21/93/563462193.db2.gz SVVWEVYLKKRXFN-UHFFFAOYSA-N 0 0 310.166 4.214 50 10 DICARN Oc1ccc(Br)cc1CNc1cc(F)cc(F)c1 ZINC000044836196 563462465 /nfs/dbraw/zinc/46/24/65/563462465.db2.gz FRUYGPIZIWHCIJ-UHFFFAOYSA-N 0 0 314.129 4.045 50 10 DICARN Nc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(Cl)c1 ZINC000097944939 563543129 /nfs/dbraw/zinc/54/31/29/563543129.db2.gz VTXMCYUFVDLMTM-FMQUCBEESA-N 0 0 312.764 4.106 50 10 DICARN Cc1ccc2c(c1)SC(C(=O)OCc1ccccc1)=C(C)N2 ZINC000000107445 563570291 /nfs/dbraw/zinc/57/02/91/563570291.db2.gz RJYWXTZBYCXUPO-UHFFFAOYSA-N 0 0 311.406 4.488 50 10 DICARN Cc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000016291523 563626104 /nfs/dbraw/zinc/62/61/04/563626104.db2.gz FFTUHEHYJVENEZ-PTNGSMBKSA-N 0 0 311.431 4.401 50 10 DICARN NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000101319080 563655069 /nfs/dbraw/zinc/65/50/69/563655069.db2.gz YMCZVBKCPVOUFC-VKJFTORMSA-N 0 0 324.811 4.265 50 10 DICARN COc1ccccc1NC[C@H](O)C[C@H]1c2ccccc2C(C)=C1C ZINC000000571491 563672185 /nfs/dbraw/zinc/67/21/85/563672185.db2.gz CMXWAMAARQSCLK-VQIMIIECSA-N 0 0 323.436 4.449 50 10 DICARN Cc1cc(C(=O)N(C)[C@@H](C)C2CC2)c(C)n1-c1ccccc1F ZINC000095350127 563931218 /nfs/dbraw/zinc/93/12/18/563931218.db2.gz HYBMZOMXCHCGPC-ZDUSSCGKSA-N 0 0 314.404 4.104 50 10 DICARN CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186175780 568418030 /nfs/dbraw/zinc/41/80/30/568418030.db2.gz JHIDNDMRJWKVRJ-GFCCVEGCSA-N 0 0 315.200 4.236 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C)cc(C)c1 ZINC000044826964 1041902861 /nfs/dbraw/zinc/90/28/61/1041902861.db2.gz TVEIXPLCXCMHOD-LDADJPATSA-N 0 0 305.381 4.022 50 10 DICARN Cc1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 ZINC000000446578 1047340152 /nfs/dbraw/zinc/34/01/52/1047340152.db2.gz GRDDWHZTIBONIT-ATVHPVEESA-N 0 0 305.377 4.042 50 10 DICARN COc1cccc(OC)c1-c1ccc(Oc2ccc(N)cn2)cc1 ZINC000952972751 1051123594 /nfs/dbraw/zinc/12/35/94/1051123594.db2.gz QCVWTGSGAYSZAY-UHFFFAOYSA-N 0 0 322.364 4.140 50 10 DICARN O=C1/C(=C/[C@@H]2CC=CCC2)SC(=S)N1C1CCCCC1 ZINC000001091456 1055553334 /nfs/dbraw/zinc/55/33/34/1055553334.db2.gz MQNBIOYBSHKTFZ-POKNLVKOSA-N 0 0 307.484 4.420 50 10 DICARN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 ZINC000111478528 185607721 /nfs/dbraw/zinc/60/77/21/185607721.db2.gz MCNJIEZWPGNTHD-LBTNJELSSA-N 0 0 321.380 4.433 50 10 DICARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C)cc1 ZINC000000289375 180748973 /nfs/dbraw/zinc/74/89/73/180748973.db2.gz MJZUGSWYRXVEJU-GZTJUZNOSA-N 0 0 310.784 4.455 50 10 DICARN COc1cccc(CNc2ccc(Br)c(C)c2)c1O ZINC000000403759 180778237 /nfs/dbraw/zinc/77/82/37/180778237.db2.gz RYTLVHCPSRSAPF-UHFFFAOYSA-N 0 0 322.202 4.084 50 10 DICARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000004132274 181077030 /nfs/dbraw/zinc/07/70/30/181077030.db2.gz WQNGPYKUGFGUOM-HDMKZQKVSA-N 0 0 322.364 4.430 50 10 DICARN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 ZINC000004450178 181109647 /nfs/dbraw/zinc/10/96/47/181109647.db2.gz UDEJMUPWFWOMJX-DEYYWGMASA-N 0 0 307.353 4.125 50 10 DICARN Cc1cccc(NC2=NC(=O)C(=Cc3cccc(O)c3)S2)c1C ZINC000004468319 181111498 /nfs/dbraw/zinc/11/14/98/181111498.db2.gz DYOBKNLEPBOGIB-MHWRWJLKSA-N 0 0 324.405 4.091 50 10 DICARN CC1CCN(C2=NC(=O)/C(=C\c3ccccc3Cl)S2)CC1 ZINC000004474719 181112154 /nfs/dbraw/zinc/11/21/54/181112154.db2.gz PZCOYXFJLCLFMJ-GXDHUFHOSA-N 0 0 320.845 4.042 50 10 DICARN O=C1/C(=C\c2cccs2)SC(=S)N1c1cccc(F)c1 ZINC000004658781 181132475 /nfs/dbraw/zinc/13/24/75/181132475.db2.gz QABJVNAQHYPQLR-XYOKQWHBSA-N 0 0 321.423 4.293 50 10 DICARN CCC[C@@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2ccccc2O)N1 ZINC000004729347 181143937 /nfs/dbraw/zinc/14/39/37/181143937.db2.gz UUOZRNLRVQKZFI-AZUAARDMSA-N 0 0 324.424 4.051 50 10 DICARN Cc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000004820487 181156825 /nfs/dbraw/zinc/15/68/25/181156825.db2.gz WEURWEAOKJAORJ-UKTHLTGXSA-N 0 0 317.460 4.462 50 10 DICARN CCc1ccccc1NC=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000005797548 181284810 /nfs/dbraw/zinc/28/48/10/181284810.db2.gz ZCHKZLJEQJGSDD-ATVHPVEESA-N 0 0 323.371 4.107 50 10 DICARN Cc1cc(C(=O)Cn2cnc(C)c2C)c(C)n1-c1ccccc1C ZINC000089697016 192844732 /nfs/dbraw/zinc/84/47/32/192844732.db2.gz MGHRPJHWUQRYPW-UHFFFAOYSA-N 0 0 321.424 4.099 50 10 DICARN C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)C1 ZINC000006129859 181315431 /nfs/dbraw/zinc/31/54/31/181315431.db2.gz ICMAMHHHGBJVTF-LUHPIMIVSA-N 0 0 320.845 4.042 50 10 DICARN Cn1c2ccccc2[nH]c1=NN=C1C=CC(=O)c2ncccc21 ZINC000006813477 181394369 /nfs/dbraw/zinc/39/43/69/181394369.db2.gz OLWUIQOVWISLBT-QZQOTICOSA-N 0 0 303.325 4.243 50 10 DICARN CCc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 ZINC000013547668 181860397 /nfs/dbraw/zinc/86/03/97/181860397.db2.gz BAMNDGQIQSHXOV-SSZFMOIBSA-N 0 0 314.454 4.095 50 10 DICARN COc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1C ZINC000015018312 181984205 /nfs/dbraw/zinc/98/42/05/181984205.db2.gz YNUVILXKGWBEQY-WJDWOHSUSA-N 0 0 309.390 4.065 50 10 DICARN CCOc1ccc(/C=C2/SC(=S)N([C@H](C)CC)C2=O)cc1 ZINC000016805171 182060655 /nfs/dbraw/zinc/06/06/55/182060655.db2.gz GTQCXWCIEHCABK-ZTMOJVSCSA-N 0 0 321.467 4.085 50 10 DICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1 ZINC000016672061 182057443 /nfs/dbraw/zinc/05/74/43/182057443.db2.gz JSUIZGUMJYDHAP-WJDWOHSUSA-N 0 0 311.772 4.059 50 10 DICARN CN(C)c1ccc(CN(C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000018181872 182097278 /nfs/dbraw/zinc/09/72/78/182097278.db2.gz PMKNPHJJTJQWEC-UHFFFAOYSA-N 0 0 317.820 4.070 50 10 DICARN COc1cccc(CNc2ccc(C)cc2Br)c1O ZINC000019901619 182162325 /nfs/dbraw/zinc/16/23/25/182162325.db2.gz DVRGHYPMZIIQAD-UHFFFAOYSA-N 0 0 322.202 4.084 50 10 DICARN CCOc1cccc(CNc2ccccc2Br)c1O ZINC000019922648 182164333 /nfs/dbraw/zinc/16/43/33/182164333.db2.gz KRHHYNDJEIREKV-UHFFFAOYSA-N 0 0 322.202 4.166 50 10 DICARN Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccco1 ZINC000019849936 182157193 /nfs/dbraw/zinc/15/71/93/182157193.db2.gz GCXWELVNGRZMSL-LJQANCHMSA-N 0 0 317.348 4.130 50 10 DICARN Cc1cc(C(=O)N2CCCC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000020816308 182247772 /nfs/dbraw/zinc/24/77/72/182247772.db2.gz TWQAYCGURXLQPF-ZDUSSCGKSA-N 0 0 314.404 4.248 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000033302274 182701286 /nfs/dbraw/zinc/70/12/86/182701286.db2.gz WFGSCPLXPFCAII-AVSIYSEJSA-N 0 0 302.377 4.357 50 10 DICARN CCOc1ccc2ccccc2c1C1C(=O)c2ccccc2C1=O ZINC000101017138 193806863 /nfs/dbraw/zinc/80/68/63/193806863.db2.gz SUUSVNHRMVCSMB-UHFFFAOYSA-N 0 0 316.356 4.401 50 10 DICARN C[C@@H](NC(=S)N(C)[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000044073898 183393894 /nfs/dbraw/zinc/39/38/94/183393894.db2.gz ZAGNZGGGZVFWLT-KGLIPLIRSA-N 0 0 314.454 4.021 50 10 DICARN CCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000105498350 194107304 /nfs/dbraw/zinc/10/73/04/194107304.db2.gz MSWNSAQKNBDADP-QINSGFPZSA-N 0 0 320.820 4.045 50 10 DICARN CC[NH+](CC)Cc1c2c(C(=O)c3ccccc3)coc2ccc1[O-] ZINC000000227249 563231508 /nfs/dbraw/zinc/23/15/08/563231508.db2.gz CMIITKOEUHPGGC-UHFFFAOYSA-N 0 0 323.392 4.211 50 10 DICARN Cc1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1C ZINC000000312936 563239764 /nfs/dbraw/zinc/23/97/64/563239764.db2.gz ZUGPSCIUEDALPN-PDGQHHTCSA-N 0 0 319.404 4.351 50 10 DICARN CCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000001181934 563278400 /nfs/dbraw/zinc/27/84/00/563278400.db2.gz YJBQAZBUZAJRDR-RAXLEYEMSA-N 0 0 305.468 4.205 50 10 DICARN CCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002707129 563311772 /nfs/dbraw/zinc/31/17/72/563311772.db2.gz DJSHSWRNKNMFFX-XFXZXTDPSA-N 0 0 311.859 4.341 50 10 DICARN CCCCn1c2ccccc2nc1NCc1cc(C)ccc1O ZINC000013425493 563382188 /nfs/dbraw/zinc/38/21/88/563382188.db2.gz XUUGFYFTGCCRFK-UHFFFAOYSA-N 0 0 309.413 4.463 50 10 DICARN Cc1cccc(NC2=NC(=O)C(=Cc3cccs3)S2)c1C ZINC000013713471 563386838 /nfs/dbraw/zinc/38/68/38/563386838.db2.gz QIBNYSCVJURXFS-ZROIWOOFSA-N 0 0 314.435 4.447 50 10 DICARN COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1C ZINC000000063503 563517477 /nfs/dbraw/zinc/51/74/77/563517477.db2.gz NSPYZJMZEZOQIW-YVLHZVERSA-N 0 0 306.361 4.293 50 10 DICARN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccco1 ZINC000100165163 563546910 /nfs/dbraw/zinc/54/69/10/563546910.db2.gz KDGHLPCIZFMPQD-ZROIWOOFSA-N 0 0 320.270 4.105 50 10 DICARN C[C@H](Cc1ccccc1)NC=C1C=C(c2ccccc2)OC1=S ZINC000100750659 563553499 /nfs/dbraw/zinc/55/34/99/563553499.db2.gz QEJLSAFSXFFHJS-SULWINFOSA-N 0 0 321.445 4.490 50 10 DICARN CCOc1cccc(CNc2cc(C)c(Cl)cc2OC)c1O ZINC000044836439 563571025 /nfs/dbraw/zinc/57/10/25/563571025.db2.gz QJJADIXJMGLOAG-UHFFFAOYSA-N 0 0 321.804 4.373 50 10 DICARN CNc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1 ZINC000000243145 563580960 /nfs/dbraw/zinc/58/09/60/563580960.db2.gz GYCAAEFWMZSUQY-UHFFFAOYSA-N 0 0 324.605 4.375 50 10 DICARN Cc1ccn2c(c1)nc(-c1ccccn1)c2NC1CCCCC1 ZINC000000319930 563588071 /nfs/dbraw/zinc/58/80/71/563588071.db2.gz DCMXRBIENRAJNX-UHFFFAOYSA-N 0 0 306.413 4.449 50 10 DICARN Oc1ccccc1CNc1ccc2c(c1)ncn2-c1ccccc1 ZINC000000497927 563650927 /nfs/dbraw/zinc/65/09/27/563650927.db2.gz BKPZVJSYIQOMSS-UHFFFAOYSA-N 0 0 315.376 4.343 50 10 DICARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1cccc(C)c1 ZINC000101350305 563655354 /nfs/dbraw/zinc/65/53/54/563655354.db2.gz TZJGAPIKPDJBTB-PDGQHHTCSA-N 0 0 319.408 4.330 50 10 DICARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccs1 ZINC000103454024 563668207 /nfs/dbraw/zinc/66/82/07/563668207.db2.gz KNSHITHZRQMTPD-NTEUORMPSA-N 0 0 302.786 4.208 50 10 DICARN COc1ccccc1NC[C@@H](O)C[C@H]1c2ccccc2C(C)=C1C ZINC000000571489 563672188 /nfs/dbraw/zinc/67/21/88/563672188.db2.gz CMXWAMAARQSCLK-QFBILLFUSA-N 0 0 323.436 4.449 50 10 DICARN Cc1ccc(C)n1-c1cccc(NC(=O)Cc2ccsc2)c1 ZINC000012522792 563797654 /nfs/dbraw/zinc/79/76/54/563797654.db2.gz SZHSJNPDZHEJQP-UHFFFAOYSA-N 0 0 310.422 4.337 50 10 DICARN Cc1ccc(NC(=O)NCCCSc2nccs2)cc1C ZINC000075109142 563860120 /nfs/dbraw/zinc/86/01/20/563860120.db2.gz UUFFYRGPXMLCSE-UHFFFAOYSA-N 0 0 321.471 4.064 50 10 DICARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccsc2)S1 ZINC000007165865 563903978 /nfs/dbraw/zinc/90/39/78/563903978.db2.gz JVLIJAUXEUHTCP-MDWZMJQESA-N 0 0 300.408 4.139 50 10 DICARN COc1ccc(-c2cnc(SCc3ccccc3)n2C)cc1 ZINC000007423489 563906004 /nfs/dbraw/zinc/90/60/04/563906004.db2.gz SFFXUFQDRFHTSI-UHFFFAOYSA-N 0 0 310.422 4.388 50 10 DICARN Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1 ZINC000013121748 563929393 /nfs/dbraw/zinc/92/93/93/563929393.db2.gz DPDIWXKPTXOXMN-CYBMUJFWSA-N 0 0 307.180 4.138 50 10 aggregator DICARN CN(C)c1ccc(/C=C\c2ccnc3ccc([N+](=O)[O-])cc23)cc1 ZINC000211168557 1042499103 /nfs/dbraw/zinc/49/91/03/1042499103.db2.gz IOMNYJNJYSSTQF-UTCJRWHESA-N 0 0 319.364 4.379 50 10 DICARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccccc3O)S2)c1 ZINC000007165538 1044646519 /nfs/dbraw/zinc/64/65/19/1044646519.db2.gz SMIWTMZZUJKIBL-MHWRWJLKSA-N 0 0 324.405 4.091 50 10 DICARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@H](O)C1 ZINC000254761404 1047243305 /nfs/dbraw/zinc/24/33/05/1047243305.db2.gz BEYROHLYLFKJMY-KRWDZBQOSA-N 0 0 324.384 4.091 50 10 DICARN C(=C\c1ccc2ccccc2n1)\c1ccc(N2CCOCC2)cc1 ZINC000033467018 1052778212 /nfs/dbraw/zinc/77/82/12/1052778212.db2.gz AKAGGWSNVWAIRP-UITAMQMPSA-N 0 0 316.404 4.242 50 10 DICARN CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)ccc1O ZINC000007886666 1053138359 /nfs/dbraw/zinc/13/83/59/1053138359.db2.gz VLVCUPKXEOQAJL-INIZCTEOSA-N 0 0 316.788 4.022 50 10 DICARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cc(C)ccc1C ZINC000095471523 185372780 /nfs/dbraw/zinc/37/27/80/185372780.db2.gz GQDTYCRFPZVSMN-BOPFTXTBSA-N 0 0 323.371 4.161 50 10 DICARN Fc1ccccc1Cc1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004623257 190619604 /nfs/dbraw/zinc/61/96/04/190619604.db2.gz PCBGFYHVPRQMSP-UHFFFAOYSA-N 0 0 319.339 4.257 50 10 DICARN C[C@@H](NC(=O)C(C)(C)C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000072116035 191037820 /nfs/dbraw/zinc/03/78/20/191037820.db2.gz YFDNELKKEXUIQW-HUUCEWRRSA-N 0 0 302.462 4.146 50 10 DICARN COc1ccccc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000000084107 180687581 /nfs/dbraw/zinc/68/75/81/180687581.db2.gz ZAWCJIQVJCXSTR-GXDHUFHOSA-N 0 0 312.752 4.330 50 10 DICARN O=C1OC(c2ccc(F)cc2)=C/C1=C\c1cccc(Cl)c1 ZINC000000465278 180799576 /nfs/dbraw/zinc/79/95/76/180799576.db2.gz JYXKYGDCSHEVJZ-MDWZMJQESA-N 0 0 300.716 4.460 50 10 DICARN CCC(=O)N[C@@H](c1ccc(C)cc1)c1c(O)ccc2ccccc21 ZINC000000446470 180793654 /nfs/dbraw/zinc/79/36/54/180793654.db2.gz ATMABQGDBVSPLY-NRFANRHFSA-N 0 0 319.404 4.469 50 10 DICARN C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C1 ZINC000000547813 180818953 /nfs/dbraw/zinc/81/89/53/180818953.db2.gz KLMPCECSMQECAK-HOXUKUGESA-N 0 0 320.845 4.042 50 10 DICARN O=C1/C(=C/c2cccs2)SC(=S)N1Cc1ccccc1 ZINC000001022072 180841893 /nfs/dbraw/zinc/84/18/93/180841893.db2.gz XZFUWESAUXPVMY-LCYFTJDESA-N 0 0 317.460 4.150 50 10 DICARN Cc1cccn2c1nc(-c1ccccn1)c2Nc1ccccc1 ZINC000003906231 181055750 /nfs/dbraw/zinc/05/57/50/181055750.db2.gz RQJMCIAWFAIDHU-UHFFFAOYSA-N 0 0 300.365 4.448 50 10 DICARN Cc1ccccc1Nc1c(-c2ccccn2)nc2ccccn21 ZINC000003906242 181056175 /nfs/dbraw/zinc/05/61/75/181056175.db2.gz AKCQHADOMNAQPG-UHFFFAOYSA-N 0 0 300.365 4.448 50 10 DICARN COc1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004140450 181077818 /nfs/dbraw/zinc/07/78/18/181077818.db2.gz LFUBJNKOGZYMIF-MUKKUYKPSA-N 0 0 322.364 4.430 50 10 DICARN Cc1cccc(NC2=NC(=O)C(=Cc3cccc(F)c3)S2)c1 ZINC000004464760 181110682 /nfs/dbraw/zinc/11/06/82/181110682.db2.gz KVWCOHNZBRLIDN-XNTDXEJSSA-N 0 0 312.369 4.217 50 10 DICARN CCC[C@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2ccccc2O)N1 ZINC000004729346 181143580 /nfs/dbraw/zinc/14/35/80/181143580.db2.gz UUOZRNLRVQKZFI-ICSRJNTNSA-N 0 0 324.424 4.051 50 10 DICARN C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccccc3Cl)S2)C1 ZINC000004754885 181148218 /nfs/dbraw/zinc/14/82/18/181148218.db2.gz KLMPCECSMQECAK-ZECSTPGPSA-N 0 0 320.845 4.042 50 10 DICARN CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC[C@H](C)C1 ZINC000005067483 181199494 /nfs/dbraw/zinc/19/94/94/181199494.db2.gz MTAPFBHZELYDAZ-IVGVGDLQSA-N 0 0 314.389 4.075 50 10 DICARN O=[N+]([O-])c1ccc(NN=Nc2ccccc2Br)cc1 ZINC000005514651 181252432 /nfs/dbraw/zinc/25/24/32/181252432.db2.gz HAJLRFNHJKMKMR-UHFFFAOYSA-N 0 0 321.134 4.468 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3cccs3)S2)cc1C ZINC000005812887 181285879 /nfs/dbraw/zinc/28/58/79/181285879.db2.gz BDJBMVCZLQHUDS-NTEUORMPSA-N 0 0 314.435 4.447 50 10 DICARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(C)C)c1 ZINC000006721653 181376824 /nfs/dbraw/zinc/37/68/24/181376824.db2.gz OFQSBQSZVPSNJO-FXAWDEMLSA-N 0 0 322.408 4.226 50 10 DICARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000013615491 181869257 /nfs/dbraw/zinc/86/92/57/181869257.db2.gz WQNGPYKUGFGUOM-RVKKMQEKSA-N 0 0 322.364 4.430 50 10 DICARN O=C1NC(=S)C(=Cc2ccc(-c3ccc(F)cc3)o2)S1 ZINC000015906543 182023961 /nfs/dbraw/zinc/02/39/61/182023961.db2.gz NHMZPDRAZRNWKW-GHXNOFRVSA-N 0 0 305.355 4.210 50 10 DICARN COc1cc(N(C)C)ccc1/C=C\c1ccnc2ccccc12 ZINC000017161666 182077898 /nfs/dbraw/zinc/07/78/98/182077898.db2.gz FFMXFPXDHXFMNV-HJWRWDBZSA-N 0 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/nfs/dbraw/zinc/16/20/11/182162011.db2.gz GJWCPASCXDMSNQ-VBKFSLOCSA-N 0 0 322.360 4.075 50 10 DICARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(C)C)c1 ZINC000020070832 182185449 /nfs/dbraw/zinc/18/54/49/182185449.db2.gz OFQSBQSZVPSNJO-PXNSSMCTSA-N 0 0 322.408 4.226 50 10 DICARN Cc1cccc(NC2=NC(=O)C(=CC=Cc3ccco3)S2)c1 ZINC000020227300 182199342 /nfs/dbraw/zinc/19/93/42/182199342.db2.gz SQDCWOLXFMNZAJ-UVDQGBRZSA-N 0 0 310.378 4.227 50 10 DICARN Cc1ccsc1/C=C1/SC(=S)N(Cc2ccco2)C1=O ZINC000033406252 182709303 /nfs/dbraw/zinc/70/93/03/182709303.db2.gz FKFCAMDFHDVPOZ-KPKJPENVSA-N 0 0 321.448 4.051 50 10 DICARN O=C1N=C(Nc2ccccc2)SC1=Cc1ccc(F)c(F)c1 ZINC000016440748 256527039 /nfs/dbraw/zinc/52/70/39/256527039.db2.gz AVLHBJSXNAUFOO-ZROIWOOFSA-N 0 0 316.332 4.047 50 10 DICARN C[C@H](Sc1nccs1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000133245180 196324366 /nfs/dbraw/zinc/32/43/66/196324366.db2.gz OLHPAVGIUNZANZ-WDEREUQCSA-N 0 0 324.496 4.049 50 10 DICARN O=C(Nc1ccc(Cl)cc1)OCCSc1nccs1 ZINC000002171548 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CC1(C)Cc2ccccc2/C(=C/C(=S)Nc2ccccc2)N1 ZINC000100258099 563548607 /nfs/dbraw/zinc/54/86/07/563548607.db2.gz VAXWYRLBLDKIQK-ATVHPVEESA-N 0 0 308.450 4.391 50 10 DICARN CN(C)c1ccc(/C=C\c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000033477381 563592103 /nfs/dbraw/zinc/59/21/03/563592103.db2.gz FLQWYEHVGHRYFY-YVMONPNESA-N 0 0 324.405 4.261 50 10 DICARN COc1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)cc1 ZINC000000423333 563611927 /nfs/dbraw/zinc/61/19/27/563611927.db2.gz MYPAWYTUBJTERA-UHFFFAOYSA-N 0 0 309.413 4.412 50 10 DICARN Oc1ccc(Cl)cc1C1=NN[C@H](c2ccccc2Cl)C1 ZINC000000462805 563617829 /nfs/dbraw/zinc/61/78/29/563617829.db2.gz OZDAJKLNBBLWEG-ZDUSSCGKSA-N 0 0 307.180 4.138 50 10 DICARN CCCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1O ZINC000008941110 563625575 /nfs/dbraw/zinc/62/55/75/563625575.db2.gz WVWPERFSFOWNCY-GOSISDBHSA-N 0 0 322.408 4.178 50 10 DICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C)cc1 ZINC000100929762 563646814 /nfs/dbraw/zinc/64/68/14/563646814.db2.gz HYJAIZZAFCKEQH-UNOMPAQXSA-N 0 0 319.408 4.330 50 10 DICARN O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c32 ZINC000000507877 563657919 /nfs/dbraw/zinc/65/79/19/563657919.db2.gz FIXGNCWNTHTYMQ-UHFFFAOYSA-N 0 0 316.316 4.244 50 10 DICARN c1ccn(-c2ccc(-c3noc(CCc4ccccc4)n3)cc2)c1 ZINC000001422044 563822775 /nfs/dbraw/zinc/82/27/75/563822775.db2.gz DIFMYNQUXHVQEF-UHFFFAOYSA-N 0 0 315.376 4.313 50 10 DICARN Nc1nc(-c2ccco2)c(N=Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000252621431 563883964 /nfs/dbraw/zinc/88/39/64/563883964.db2.gz MYMVWQMZYRNILI-UHFFFAOYSA-N 0 0 315.314 4.309 50 10 DICARN COc1ccc2c3ccc(OCC=C(C)C)cc3oc(=O)c2c1 ZINC000000486207 563887280 /nfs/dbraw/zinc/88/72/80/563887280.db2.gz DYNSHZSTGTZIJZ-UHFFFAOYSA-N 0 0 310.349 4.300 50 10 biogenic DICARN CC[C@H](C)NC(=O)NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000009228576 563954212 /nfs/dbraw/zinc/95/42/12/563954212.db2.gz FUCLIZKVJSZYIR-AWEZNQCLSA-N 0 0 313.445 4.000 50 10 DICARN O=C1/C(=C/c2ccccc2F)SC(=S)N1C1CCCCC1 ZINC000013616047 568412532 /nfs/dbraw/zinc/41/25/32/568412532.db2.gz 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COc1ccc(N2CO[C@H]3c4cccc5cccc(c45)[C@@H]32)cc1 ZINC000004661573 181133763 /nfs/dbraw/zinc/13/37/63/181133763.db2.gz BYQXURRZEZYMMJ-PMACEKPBSA-N 0 0 303.361 4.439 50 10 DICARN COc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000004697689 181138644 /nfs/dbraw/zinc/13/86/44/181138644.db2.gz HQFYDZBANYJBNB-RLFYNMQTSA-N 0 0 322.364 4.430 50 10 DICARN COc1cc([N+](=O)[O-])ccc1/N=N/c1ccc(N(C)C)cc1 ZINC000004774535 181150493 /nfs/dbraw/zinc/15/04/93/181150493.db2.gz VNNVVRUTTJCFKZ-WUKNDPDISA-N 0 0 300.318 4.085 50 10 DICARN O=C1/C(=C\[C@@H]2CC=CCC2)SC(=S)N1C1CCCCC1 ZINC000004820485 181156809 /nfs/dbraw/zinc/15/68/09/181156809.db2.gz MQNBIOYBSHKTFZ-SLQMCABGSA-N 0 0 307.484 4.420 50 10 DICARN COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004891615 181168419 /nfs/dbraw/zinc/16/84/19/181168419.db2.gz WTYCGPVTIZZJEE-MDZRGWNJSA-N 0 0 322.364 4.430 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C)ccc1C ZINC000005002958 181189196 /nfs/dbraw/zinc/18/91/96/181189196.db2.gz SXSBIZKHWNKVIP-SFQUDFHCSA-N 0 0 305.381 4.022 50 10 DICARN CC[C@H](C)[C@H](Nc1c2ccccc2[nH+]c2ccccc21)C(=O)[O-] ZINC000005531364 181254700 /nfs/dbraw/zinc/25/47/00/181254700.db2.gz VIXKCWTWOBFMSB-SJCJKPOMSA-N 0 0 308.381 4.299 50 10 DICARN CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S ZINC000005591689 181261248 /nfs/dbraw/zinc/26/12/48/181261248.db2.gz YJBQAZBUZAJRDR-JLHYYAGUSA-N 0 0 305.468 4.205 50 10 DICARN CCc1ccc(C2=C/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1 ZINC000006179569 181317877 /nfs/dbraw/zinc/31/78/77/181317877.db2.gz BFNMYTSPHBBCNU-QGOAFFKASA-N 0 0 319.404 4.296 50 10 DICARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccccc1 ZINC000006556662 181354284 /nfs/dbraw/zinc/35/42/84/181354284.db2.gz XHKACDOQQYYBCH-SFQUDFHCSA-N 0 0 305.381 4.022 50 10 DICARN Cc1cc(-c2csc(N)n2)c(C)n1-c1ccc(C)c(F)c1 ZINC000007763057 181493567 /nfs/dbraw/zinc/49/35/67/181493567.db2.gz ASXGCXNAGMTAJG-UHFFFAOYSA-N 0 0 301.390 4.247 50 10 DICARN CCOC(=O)[C@@H](SC(=S)c1ccccc1)c1ccccc1 ZINC000095100112 193423855 /nfs/dbraw/zinc/42/38/55/193423855.db2.gz SQKNCNYHCGWDEX-HNNXBMFYSA-N 0 0 316.447 4.400 50 10 DICARN O=C1c2ccc(N3CCCCCC3)c3noc(c32)-c2ccccc21 ZINC000016663486 182056936 /nfs/dbraw/zinc/05/69/36/182056936.db2.gz COMYCHOJHDNEBS-UHFFFAOYSA-N 0 0 318.376 4.420 50 10 DICARN CC(C)C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3O)=NN21 ZINC000020070553 182185539 /nfs/dbraw/zinc/18/55/39/182185539.db2.gz LOWDPXRSLOYASX-XLIONFOSSA-N 0 0 322.408 4.308 50 10 DICARN Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000101654018 193832177 /nfs/dbraw/zinc/83/21/77/193832177.db2.gz GYXARPDYRNLEGN-VKJFTORMSA-N 0 0 307.353 4.004 50 10 DICARN COc1ccc2nccc(/C=C/c3ccc(N(C)C)cc3)c2c1 ZINC000037866039 182933655 /nfs/dbraw/zinc/93/36/55/182933655.db2.gz RXSOBQRGVGGANL-QPJJXVBHSA-N 0 0 304.393 4.480 50 10 DICARN Oc1cc2ccccc2c(-c2c(O)c(O)cc3ccccc32)c1O ZINC000001765622 331467677 /nfs/dbraw/zinc/46/76/77/331467677.db2.gz OOSHJGKXQBJASF-UHFFFAOYSA-N 0 0 318.328 4.482 50 10 DICARN COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 ZINC000000359408 563244385 /nfs/dbraw/zinc/24/43/85/563244385.db2.gz MPJWONVAQZMDCG-WJDWOHSUSA-N 0 0 309.390 4.065 50 10 DICARN Oc1ccc(Br)cc1CNc1ccc(F)c(F)c1 ZINC000000732339 563271950 /nfs/dbraw/zinc/27/19/50/563271950.db2.gz VCMUWBJPUKMXJN-UHFFFAOYSA-N 0 0 314.129 4.045 50 10 DICARN Cc1ccccc1N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001090131 563277240 /nfs/dbraw/zinc/27/72/40/563277240.db2.gz JYSZGOMYGINHNE-LCYFTJDESA-N 0 0 317.460 4.462 50 10 DICARN CSc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000001112081 563277875 /nfs/dbraw/zinc/27/78/75/563277875.db2.gz BGHIBIIEEKLBBT-JYRVWZFOSA-N 0 0 323.508 4.266 50 10 DICARN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(F)cc1 ZINC000001215182 563279561 /nfs/dbraw/zinc/27/95/61/563279561.db2.gz CFONXPGNJOVTEO-UVTDQMKNSA-N 0 0 315.394 4.232 50 10 DICARN c1ccn(-c2ccc(-c3noc(Cc4cccs4)n3)cc2)c1 ZINC000001422040 563283370 /nfs/dbraw/zinc/28/33/70/563283370.db2.gz FZGCFWWGKRKOIY-UHFFFAOYSA-N 0 0 307.378 4.180 50 10 aggregator DICARN Cc1cccc(OC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000002431870 563303751 /nfs/dbraw/zinc/30/37/51/563303751.db2.gz WKTYUBDUAVKMIF-UHFFFAOYSA-N 0 0 312.394 4.023 50 10 DICARN O=C1N=C(N2CCCC2)S/C1=C/c1ccc(-c2ccccc2)o1 ZINC000002421175 563332612 /nfs/dbraw/zinc/33/26/12/563332612.db2.gz MWDKRJYELUTWOK-FOWTUZBSSA-N 0 0 324.405 4.013 50 10 DICARN CCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000002666905 563338829 /nfs/dbraw/zinc/33/88/29/563338829.db2.gz POBRRQKOYQJMDQ-RAXLEYEMSA-N 0 0 309.431 4.217 50 10 DICARN CC(C)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000011565499 563358277 /nfs/dbraw/zinc/35/82/77/563358277.db2.gz CIIRQRPAVKXIJB-HXUWFJFHSA-N 0 0 319.404 4.407 50 10 DICARN Cc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1 ZINC000013109848 563377891 /nfs/dbraw/zinc/37/78/91/563377891.db2.gz LYLMAYNWKANAOV-GDNBJRDFSA-N 0 0 312.369 4.217 50 10 DICARN COc1ccc2c(c1)CCCN2Cc1nc2ccccc2s1 ZINC000027579034 563428096 /nfs/dbraw/zinc/42/80/96/563428096.db2.gz SDVAKSWUAUQRNA-UHFFFAOYSA-N 0 0 310.422 4.258 50 10 DICARN COc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1C ZINC000029656411 563435529 /nfs/dbraw/zinc/43/55/29/563435529.db2.gz QYPWFWRWRRCIIO-NRFANRHFSA-N 0 0 318.420 4.278 50 10 DICARN CSc1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000044836285 563462587 /nfs/dbraw/zinc/46/25/87/563462587.db2.gz CAQZFYPFUQHEDV-UHFFFAOYSA-N 0 0 324.243 4.489 50 10 DICARN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 ZINC000004623315 563477393 /nfs/dbraw/zinc/47/73/93/563477393.db2.gz UDEJMUPWFWOMJX-GLJUWKHASA-N 0 0 307.353 4.125 50 10 DICARN CCOC(=O)C1=C(C)Nc2cc(C(F)(F)F)ccc2S1 ZINC000002474593 563508107 /nfs/dbraw/zinc/50/81/07/563508107.db2.gz KURCJVZHJQCRSH-UHFFFAOYSA-N 0 0 303.305 4.018 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccc(Cl)cc1 ZINC000100147621 563566291 /nfs/dbraw/zinc/56/62/91/563566291.db2.gz JJNBAEUKCLPUDP-FOCLMDBBSA-N 0 0 312.756 4.032 50 10 DICARN CC(C)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000000339989 563588835 /nfs/dbraw/zinc/58/88/35/563588835.db2.gz FOJJVYFEEGTNSJ-FOWTUZBSSA-N 0 0 314.454 4.266 50 10 DICARN O=C1CCCc2c1cc(-c1ccccc1)n2-c1ccc(O)cc1 ZINC000000351658 563590076 /nfs/dbraw/zinc/59/00/76/563590076.db2.gz LFPKTXQARQDQDT-UHFFFAOYSA-N 0 0 303.361 4.369 50 10 DICARN O=C1/C(=C\c2ccccc2)SC(=S)N1C1CCCCC1 ZINC000000969852 563785664 /nfs/dbraw/zinc/78/56/64/563785664.db2.gz JKMFIKLRISCBEN-SDNWHVSQSA-N 0 0 303.452 4.221 50 10 DICARN CCOc1ccccc1-c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000120775575 563796884 /nfs/dbraw/zinc/79/68/84/563796884.db2.gz RMIKWYBMUFROFJ-UHFFFAOYSA-N 0 0 313.378 4.287 50 10 DICARN Cc1ccc(-c2noc([C@H](C)Sc3nccs3)n2)cc1F ZINC000052914277 563810946 /nfs/dbraw/zinc/81/09/46/563810946.db2.gz TXGBUYTXXJBAIY-VIFPVBQESA-N 0 0 321.402 4.494 50 10 DICARN COc1cccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)c1 ZINC000001423518 563822813 /nfs/dbraw/zinc/82/28/13/563822813.db2.gz DOFOKLSJSFEIFD-UHFFFAOYSA-N 0 0 317.348 4.203 50 10 DICARN COc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000001461955 563836537 /nfs/dbraw/zinc/83/65/37/563836537.db2.gz OSICTFVGWMISBJ-RVKKMQEKSA-N 0 0 322.364 4.430 50 10 DICARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccccc1 ZINC000001465284 563837231 /nfs/dbraw/zinc/83/72/31/563837231.db2.gz AMFMZFPOULURKP-NDUUIVGLSA-N 0 0 313.403 4.242 50 10 DICARN COc1ccc(N2CO[C@H]3c4cccc5cccc(c45)[C@H]32)cc1 ZINC000000386604 563866277 /nfs/dbraw/zinc/86/62/77/563866277.db2.gz BYQXURRZEZYMMJ-UXHICEINSA-N 0 0 303.361 4.439 50 10 DICARN COC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 ZINC000226886164 563870384 /nfs/dbraw/zinc/87/03/84/563870384.db2.gz AXPWJTYFBXKYOP-RVKKMQEKSA-N 0 0 323.367 4.439 50 10 DICARN CN1C=CC2=S1N(c1ccccc1)N=C2N=Nc1ccccc1 ZINC000252632629 563877093 /nfs/dbraw/zinc/87/70/93/563877093.db2.gz VVOWTVJPPSZHOT-UHFFFAOYSA-N 0 0 321.409 4.334 50 10 DICARN Clc1ccccc1-c1nnc(CSc2nccs2)o1 ZINC000064660223 563892135 /nfs/dbraw/zinc/89/21/35/563892135.db2.gz XIBREDIJBXLNEP-UHFFFAOYSA-N 0 0 309.803 4.139 50 10 DICARN COc1ccc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1F ZINC000252509818 563916529 /nfs/dbraw/zinc/91/65/29/563916529.db2.gz YWEZVAAKYMZJGE-AWEZNQCLSA-N 0 0 317.404 4.050 50 10 DICARN Oc1ccc(Cl)cc1C1=NN[C@H](c2ccc(Cl)cc2)C1 ZINC000013121747 563929285 /nfs/dbraw/zinc/92/92/85/563929285.db2.gz DPDIWXKPTXOXMN-ZDUSSCGKSA-N 0 0 307.180 4.138 50 10 aggregator DICARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(C)C)[C@@H]1CC=C[C@@H]21 ZINC000013615536 568412520 /nfs/dbraw/zinc/41/25/20/568412520.db2.gz XGGJKNBTMWAYSB-XJKCOSOUSA-N 0 0 302.374 4.103 50 10 DICARN CCCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000101072937 1041397966 /nfs/dbraw/zinc/39/79/66/1041397966.db2.gz RWFDJPYKUJIMBE-UHFFFAOYSA-N 0 0 311.790 4.148 50 10 DICARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=N ZINC000199557939 1043299405 /nfs/dbraw/zinc/29/94/05/1043299405.db2.gz SRLZKUIEKKGGME-UHFFFAOYSA-N 0 0 313.357 4.399 50 10 DICARN O=C1NC(=S)C(=Cc2ccc(-c3ccc(F)cc3)o2)S1 ZINC000003183323 1044643945 /nfs/dbraw/zinc/64/39/45/1044643945.db2.gz NHMZPDRAZRNWKW-KPKJPENVSA-N 0 0 305.355 4.210 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3ccsc3)S2)c(C)c1 ZINC000003353580 1044658760 /nfs/dbraw/zinc/65/87/60/1044658760.db2.gz WGWYGARVGVNBNW-ZSOIEALJSA-N 0 0 314.435 4.447 50 10 DICARN O=C1/C(=C\c2ccc3ccccc3c2)SC(=S)N1C1CC1 ZINC000098054137 1047124637 /nfs/dbraw/zinc/12/46/37/1047124637.db2.gz CVYQGKYDULPNAG-XNTDXEJSSA-N 0 0 311.431 4.203 50 10 DICARN CC(=O)c1ccc(NN=C2C(=O)C=Cc3c(C)cc(=O)oc32)cc1 ZINC000254519705 1047221369 /nfs/dbraw/zinc/22/13/69/1047221369.db2.gz OSJXWMRTIVBFIL-UHFFFAOYSA-N 0 0 322.320 4.425 50 10 DICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H]([C@H]1CC=CCC1)N2 ZINC000000759222 1047374154 /nfs/dbraw/zinc/37/41/54/1047374154.db2.gz HATFVDDDLWQBBG-DZIWXPPMSA-N 0 0 308.425 4.455 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C)cc1C ZINC000095471565 185372597 /nfs/dbraw/zinc/37/25/97/185372597.db2.gz JGWULSMTNSHRKV-PDGQHHTCSA-N 0 0 319.408 4.330 50 10 DICARN C[C@@H](NC(=O)C(C)(C)C)c1ccc(N2CCC(C)CC2)cc1 ZINC000072117671 191038733 /nfs/dbraw/zinc/03/87/33/191038733.db2.gz KCIFJNIFDDVRCU-OAHLLOKOSA-N 0 0 302.462 4.146 50 10 DICARN Cc1cc2n(n1)[C@@H](c1ccc(N(C)C)cc1)Nc1ccc(C)cc1-2 ZINC000000817728 180835152 /nfs/dbraw/zinc/83/51/52/180835152.db2.gz WJUKONFDYQYLHE-FQEVSTJZSA-N 0 0 318.424 4.205 50 10 DICARN CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000001023117 180841768 /nfs/dbraw/zinc/84/17/68/180841768.db2.gz VOYFZNCUTKAVRU-POHAHGRESA-N 0 0 318.250 4.215 50 10 DICARN CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S ZINC000001206895 180849205 /nfs/dbraw/zinc/84/92/05/180849205.db2.gz VXQCGFYXORIKSM-TWGQIWQCSA-N 0 0 318.250 4.215 50 10 DICARN Cc1ccc(C)n1-c1ccccc1CNC(=O)c1ccc(C)cc1 ZINC000001404107 180862687 /nfs/dbraw/zinc/86/26/87/180862687.db2.gz RPRHNZNFKIKUPX-UHFFFAOYSA-N 0 0 318.420 4.333 50 10 DICARN Cc1cc(C(=O)COc2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000003264047 180998112 /nfs/dbraw/zinc/99/81/12/180998112.db2.gz JQTYEGURBCEHEF-UHFFFAOYSA-N 0 0 323.367 4.495 50 10 DICARN O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)cccc21 ZINC000003880318 181051835 /nfs/dbraw/zinc/05/18/35/181051835.db2.gz BWQIGAJDKXZJTG-UHFFFAOYSA-N 0 0 305.377 4.207 50 10 DICARN CCCCn1cnc2cc(NCc3cccc(OC)c3)ccc21 ZINC000003907436 181056132 /nfs/dbraw/zinc/05/61/32/181056132.db2.gz ZLIPGXSAUUPAOZ-UHFFFAOYSA-N 0 0 309.413 4.457 50 10 DICARN COc1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 ZINC000004132687 181077373 /nfs/dbraw/zinc/07/73/73/181077373.db2.gz BRPJGZYEWKTGOB-LXIYXOSZSA-N 0 0 322.364 4.430 50 10 DICARN CCOC(=O)/C=C/C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004195937 181083902 /nfs/dbraw/zinc/08/39/02/181083902.db2.gz QMGBBOZZVQYHBB-TUHJNPCUSA-N 0 0 323.352 4.160 50 10 DICARN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000004450151 181109774 /nfs/dbraw/zinc/10/97/74/181109774.db2.gz KUIVETCXSLFXSG-RLFYNMQTSA-N 0 0 307.353 4.125 50 10 DICARN CC1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1 ZINC000004481761 181112529 /nfs/dbraw/zinc/11/25/29/181112529.db2.gz DIVSAMJJAPQARK-GXDHUFHOSA-N 0 0 320.845 4.042 50 10 DICARN CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1cccc(C)c1 ZINC000004661517 181133476 /nfs/dbraw/zinc/13/34/76/181133476.db2.gz MNRVTYDLZKNKGM-PDGQHHTCSA-N 0 0 305.381 4.022 50 10 DICARN CCC[C@H]1N=C(c2ccc(OC)cc2)C[C@H](c2ccccc2O)N1 ZINC000004729349 181143717 /nfs/dbraw/zinc/14/37/17/181143717.db2.gz UUOZRNLRVQKZFI-QUCCMNQESA-N 0 0 324.424 4.051 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(O)cc3)S2)cc1C ZINC000004806725 181153624 /nfs/dbraw/zinc/15/36/24/181153624.db2.gz XLYIYJMPCQSSOW-MHWRWJLKSA-N 0 0 324.405 4.091 50 10 DICARN CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC(C)CC1 ZINC000005065358 181199688 /nfs/dbraw/zinc/19/96/88/181199688.db2.gz BAOSFPPUPWVOMC-FMQUCBEESA-N 0 0 314.389 4.075 50 10 DICARN Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3C)S2)c1 ZINC000005214624 181217806 /nfs/dbraw/zinc/21/78/06/181217806.db2.gz QTOKBZAYTOTCEM-WJDWOHSUSA-N 0 0 308.406 4.386 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(C)c1 ZINC000005333825 181230802 /nfs/dbraw/zinc/23/08/02/181230802.db2.gz IBPBGQXTLXGLTP-PDGQHHTCSA-N 0 0 305.381 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10 DICARN Cc1cc(C(=O)N2CCC(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000006507248 181347041 /nfs/dbraw/zinc/34/70/41/181347041.db2.gz RBDWITRZTOAEIG-UHFFFAOYSA-N 0 0 314.404 4.105 50 10 DICARN Cc1cc(C(=O)NCc2cccs2)c(C)n1-c1ccccc1 ZINC000006832135 181396242 /nfs/dbraw/zinc/39/62/42/181396242.db2.gz BAPOUYCRFALWNF-UHFFFAOYSA-N 0 0 310.422 4.086 50 10 DICARN CC[C@@H](C)NC(=O)c1ccc(-n2c(C)cc3c2CC[C@@H](C)C3)cc1 ZINC000006877926 181399962 /nfs/dbraw/zinc/39/99/62/181399962.db2.gz IORQXNHUKBDBNV-HUUCEWRRSA-N 0 0 324.468 4.439 50 10 DICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2 ZINC000222249690 201606885 /nfs/dbraw/zinc/60/68/85/201606885.db2.gz HATFVDDDLWQBBG-DFYYWFRZSA-N 0 0 308.425 4.455 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000008664886 181571448 /nfs/dbraw/zinc/57/14/48/181571448.db2.gz KIUIFOGWOCSNBD-WOJGMQOQSA-N 0 0 315.376 4.282 50 10 DICARN COc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c(C)c1 ZINC000015723679 182013860 /nfs/dbraw/zinc/01/38/60/182013860.db2.gz YYIPEAKROOBVJQ-GZTJUZNOSA-N 0 0 306.361 4.293 50 10 DICARN O=C1N=C(Nc2ccc(F)cc2)SC1=CC=Cc1ccccc1 ZINC000015746325 182015041 /nfs/dbraw/zinc/01/50/41/182015041.db2.gz SEQKKLWLIJWLHP-LHQXNBGVSA-N 0 0 324.380 4.464 50 10 DICARN COc1ccccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000016030348 182030666 /nfs/dbraw/zinc/03/06/66/182030666.db2.gz AFCSXBSCBSSOEE-UHFFFAOYSA-N 0 0 320.392 4.355 50 10 DICARN COc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1C ZINC000017167154 182077617 /nfs/dbraw/zinc/07/76/17/182077617.db2.gz FQJAEIYYXHYVSP-GZTJUZNOSA-N 0 0 306.361 4.293 50 10 DICARN COc1cccc2nccc(/C=C\c3ccc(N(C)C)cc3)c21 ZINC000097475350 193724213 /nfs/dbraw/zinc/72/42/13/193724213.db2.gz HHMBNJVUDHMGSO-YFHOEESVSA-N 0 0 304.393 4.480 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000019832544 182154751 /nfs/dbraw/zinc/15/47/51/182154751.db2.gz KIUIFOGWOCSNBD-WQRHYEAKSA-N 0 0 315.376 4.282 50 10 DICARN CC(C)C[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3O)=NN21 ZINC000020070556 182185231 /nfs/dbraw/zinc/18/52/31/182185231.db2.gz LOWDPXRSLOYASX-YLJYHZDGSA-N 0 0 322.408 4.308 50 10 DICARN CC1=NNC(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000100869484 193805271 /nfs/dbraw/zinc/80/52/71/193805271.db2.gz BYHWCLBXJKGXOC-YRNVUSSQSA-N 0 0 321.163 4.143 50 10 DICARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000033317328 182703895 /nfs/dbraw/zinc/70/38/95/182703895.db2.gz UMQOKRPPCFWONW-GZTJUZNOSA-N 0 0 310.784 4.455 50 10 DICARN C[C@H](NC(=S)N(C)[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000044073896 183393458 /nfs/dbraw/zinc/39/34/58/183393458.db2.gz ZAGNZGGGZVFWLT-KBPBESRZSA-N 0 0 314.454 4.021 50 10 DICARN COc1ccc2c(/C=C3\C(=O)Nc4cc(Cl)ccc43)c[nH]c2c1 ZINC000062001367 184200427 /nfs/dbraw/zinc/20/04/27/184200427.db2.gz VJRYJOKQCULPTN-UUASQNMZSA-N 0 0 324.767 4.323 50 10 biogenic DICARN O=C1c2ccccc2-c2onc3ccc(N4CCCCC4)c1c32 ZINC000000507551 134438928 /nfs/dbraw/zinc/43/89/28/134438928.db2.gz MDANBIFDCNTTCX-UHFFFAOYSA-N 0 0 304.349 4.030 50 10 DICARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(N)cc3)n2)cc1 ZINC000206578526 525323443 /nfs/dbraw/zinc/32/34/43/525323443.db2.gz NBCBAJLHXOEKIV-UHFFFAOYSA-N 0 0 305.385 4.163 50 10 DICARN CC[C@H](C)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000001165112 563278700 /nfs/dbraw/zinc/27/87/00/563278700.db2.gz UKKGAEIWCWIXLN-WXIMGFOXSA-N 0 0 303.452 4.243 50 10 DICARN O=C1OC(c2ccccc2)=C/C1=C1\c2ccccc2-c2ncccc21 ZINC000000085143 563214476 /nfs/dbraw/zinc/21/44/76/563214476.db2.gz HIPBKWYRWRKRLD-ZZEZOPTASA-N 0 0 323.351 4.462 50 10 DICARN CCn1c2ccccc2nc1NCc1cc(Cl)ccc1O ZINC000000111424 563218796 /nfs/dbraw/zinc/21/87/96/563218796.db2.gz UOPZITBUCPJPRS-UHFFFAOYSA-N 0 0 301.777 4.027 50 10 DICARN FC(F)(F)c1cccc(NNC(=S)Nc2ccccc2)c1 ZINC000000172014 563227374 /nfs/dbraw/zinc/22/73/74/563227374.db2.gz WYZUTIYBOUOGSN-UHFFFAOYSA-N 0 0 311.332 4.019 50 10 DICARN O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCCCC3)o2)c1 ZINC000000283789 563236005 /nfs/dbraw/zinc/23/60/05/563236005.db2.gz CLCPACHJGAOCFL-UHFFFAOYSA-N 0 0 316.382 4.016 50 10 DICARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccco1 ZINC000000432523 563253510 /nfs/dbraw/zinc/25/35/10/563253510.db2.gz NAOXVMIFBYWZIM-FLIBITNWSA-N 0 0 317.138 4.023 50 10 DICARN Cc1cc(F)ccc1NCc1cc(Br)ccc1O ZINC000000732344 563271778 /nfs/dbraw/zinc/27/17/78/563271778.db2.gz DTQKZPMSGTZJSR-UHFFFAOYSA-N 0 0 310.166 4.214 50 10 DICARN Oc1ccc(Br)cc1CNc1ccc(Cl)cc1 ZINC000001107072 563277964 /nfs/dbraw/zinc/27/79/64/563277964.db2.gz TVVDYVJXKKDEPK-UHFFFAOYSA-N 0 0 312.594 4.420 50 10 DICARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001446703 563284136 /nfs/dbraw/zinc/28/41/36/563284136.db2.gz JYUNTUURMVYFSK-PTNGSMBKSA-N 0 0 311.431 4.401 50 10 DICARN Oc1ccc2ccccc2c1[C@H]1NN=C(c2ccccc2)S1 ZINC000003151175 563323243 /nfs/dbraw/zinc/32/32/43/563323243.db2.gz QIHMPEZAXBQNBF-SFHVURJKSA-N 0 0 306.390 4.242 50 10 DICARN C[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)CCC2 ZINC000007981106 563344617 /nfs/dbraw/zinc/34/46/17/563344617.db2.gz FRTFZOPHNWPFTJ-UHFFFAOYSA-N 0 0 301.817 4.166 50 10 DICARN O=C1N=C(Nc2ccc(O)cc2)SC1=CC=Cc1ccccc1 ZINC000012570026 563371775 /nfs/dbraw/zinc/37/17/75/563371775.db2.gz XCFJKBZYYCXPMI-LHQXNBGVSA-N 0 0 322.389 4.031 50 10 DICARN O=C1NC(=S)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000013382263 563381391 /nfs/dbraw/zinc/38/13/91/563381391.db2.gz QRVTWPJZFXYJFK-GHXNOFRVSA-N 0 0 321.810 4.089 50 10 DICARN CCc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000015011091 563405555 /nfs/dbraw/zinc/40/55/55/563405555.db2.gz DIGSJCSEEMTNHV-ZROIWOOFSA-N 0 0 305.468 4.106 50 10 DICARN O=C1c2ccccc2C(=O)c2c(O)cc3oc4ccccc4c3c21 ZINC000015080983 563406805 /nfs/dbraw/zinc/40/68/05/563406805.db2.gz KOQDGKNTNJPAOL-UHFFFAOYSA-N 0 0 314.296 4.067 50 10 DICARN CCC(=O)N[C@@H](c1cccs1)c1ccc2ccccc2c1O ZINC000000236478 563447486 /nfs/dbraw/zinc/44/74/86/563447486.db2.gz LQPIYVZPQAGNKI-QGZVFWFLSA-N 0 0 311.406 4.223 50 10 DICARN Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1 ZINC000095836226 563530523 /nfs/dbraw/zinc/53/05/23/563530523.db2.gz OYSNFLKQWNEFFK-UHFFFAOYSA-N 0 0 300.102 4.102 50 10 DICARN Oc1c([C@H](Nc2ccccn2)c2ccco2)ccc2cccnc21 ZINC000097939587 563543257 /nfs/dbraw/zinc/54/32/57/563543257.db2.gz HVKVOEPTDGRNGU-SFHVURJKSA-N 0 0 317.348 4.130 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)cc1C ZINC000100496338 563551462 /nfs/dbraw/zinc/55/14/62/563551462.db2.gz YXVNXTGYHWECJJ-SFQUDFHCSA-N 0 0 305.381 4.022 50 10 DICARN CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000000240354 563580662 /nfs/dbraw/zinc/58/06/62/563580662.db2.gz GZMVOOVKFHYGEQ-UHFFFAOYSA-N 0 0 324.468 4.012 50 10 DICARN Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc(F)cc2)cc1 ZINC000000295129 563585384 /nfs/dbraw/zinc/58/53/84/563585384.db2.gz NZZDQGHRMABCDK-UHFFFAOYSA-N 0 0 309.340 4.452 50 10 DICARN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000169682361 563609949 /nfs/dbraw/zinc/60/99/49/563609949.db2.gz PBFILKVCIGDQFW-GPMSIDNRSA-N 0 0 323.367 4.439 50 10 DICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)cc1C ZINC000000439695 563614351 /nfs/dbraw/zinc/61/43/51/563614351.db2.gz YXVNXTGYHWECJJ-ATVHPVEESA-N 0 0 305.381 4.022 50 10 DICARN Cc1ccc(C)c(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c1 ZINC000001163616 563633165 /nfs/dbraw/zinc/63/31/65/563633165.db2.gz ADOFAVWIFNJROV-ATVHPVEESA-N 0 0 319.404 4.351 50 10 DICARN Cc1ccc(NC2=NC(=O)C(=Cc3cccs3)S2)c(C)c1 ZINC000018192287 563652873 /nfs/dbraw/zinc/65/28/73/563652873.db2.gz BZHFOPRUBSDGHY-ZROIWOOFSA-N 0 0 314.435 4.447 50 10 DICARN CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CCCC3 ZINC000000507958 563657561 /nfs/dbraw/zinc/65/75/61/563657561.db2.gz MPWZZXZNXMIIGT-UHFFFAOYSA-N 0 0 318.442 4.057 50 10 DICARN C[C@H](NC(=O)C(C)(C)C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000107041391 563672403 /nfs/dbraw/zinc/67/24/03/563672403.db2.gz YFDNELKKEXUIQW-GJZGRUSLSA-N 0 0 302.462 4.146 50 10 DICARN Clc1ccc(-c2noc(CSc3nccs3)n2)cc1 ZINC000048874853 563700064 /nfs/dbraw/zinc/70/00/64/563700064.db2.gz QBXSRQBHENRJTK-UHFFFAOYSA-N 0 0 309.803 4.139 50 10 DICARN COCc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000055368369 563794023 /nfs/dbraw/zinc/79/40/23/563794023.db2.gz XBAANVTVBJPODU-UHFFFAOYSA-N 0 0 324.424 4.076 50 10 DICARN Cn1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc21 ZINC000012664655 563809476 /nfs/dbraw/zinc/80/94/76/563809476.db2.gz GTKGAASGMRFQNV-NVNXTCNLSA-N 0 0 308.768 4.324 50 10 biogenic DICARN CC[C@H](C)NC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1 ZINC000006877853 563897998 /nfs/dbraw/zinc/89/79/98/563897998.db2.gz STMMHFGTSXVBKT-AWEZNQCLSA-N 0 0 310.441 4.193 50 10 DICARN COc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000252627788 563919433 /nfs/dbraw/zinc/91/94/33/563919433.db2.gz SBNTXAIGPHOYFZ-UHFFFAOYSA-N 0 0 308.341 4.310 50 10 DICARN COc1cccc(/C=C2/C=C(c3ccc(C)c(C)c3)OC2=O)c1 ZINC000195750837 563920072 /nfs/dbraw/zinc/92/00/72/563920072.db2.gz BCWRZGUPBJAZGA-YVLHZVERSA-N 0 0 306.361 4.293 50 10 DICARN Oc1ccc2ccccc2c1C[NH2+][C@H]1CCOc2ccccc21 ZINC000095949719 563932088 /nfs/dbraw/zinc/93/20/88/563932088.db2.gz MOQKTNSIEGIHIR-SFHVURJKSA-N 0 0 305.377 4.159 50 10 DICARN Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC000002647553 563940014 /nfs/dbraw/zinc/94/00/14/563940014.db2.gz QTBUIKPMAKDYDG-UHFFFAOYSA-N 0 0 310.441 4.465 50 10 DICARN Cc1cc(C(=O)OCc2c(C)noc2C)c(C)n1-c1ccccc1 ZINC000002660438 563940251 /nfs/dbraw/zinc/94/02/51/563940251.db2.gz JGZTYAPTVLIRIO-UHFFFAOYSA-N 0 0 324.380 4.056 50 10 DICARN Cc1cc(C)c(/C=C2\SC(N3CCCCC3)=NC2=O)cc1C ZINC000008117837 1039458144 /nfs/dbraw/zinc/45/81/44/1039458144.db2.gz AAOVSOZEQVOONV-WJDWOHSUSA-N 0 0 314.454 4.068 50 10 DICARN COc1cccc2c(/C=C/c3ccc(N(C)C)cc3)ccnc12 ZINC000222929239 1040082416 /nfs/dbraw/zinc/08/24/16/1040082416.db2.gz FYHKQIOKJPMGMU-JXMROGBWSA-N 0 0 304.393 4.480 50 10 DICARN Cc1cc(/C=C\C(=O)Nc2cccnc2)c(C)n1-c1ccccc1 ZINC000098000906 1047117062 /nfs/dbraw/zinc/11/70/62/1047117062.db2.gz IUAOTWBEENPHJE-KHPPLWFESA-N 0 0 317.392 4.141 50 10 DICARN O=C1N=C(NC2CCCCC2)SC1=CC=Cc1ccccc1 ZINC000096669678 185385418 /nfs/dbraw/zinc/38/54/18/185385418.db2.gz ZPENEHQTQPUGCD-NJKRNUQASA-N 0 0 312.438 4.135 50 10 DICARN O=C1N=C(Nc2ccccc2)SC1=Cc1ccc(F)c(F)c1 ZINC000096767602 185387023 /nfs/dbraw/zinc/38/70/23/185387023.db2.gz AVLHBJSXNAUFOO-NTEUORMPSA-N 0 0 316.332 4.047 50 10 DICARN Cc1cc(/C=C\C(=O)N2CCc3ccccc32)c(C)n1C1CC1 ZINC000096871172 185390035 /nfs/dbraw/zinc/39/00/35/185390035.db2.gz GCIFWAIDWDWGMA-YFHOEESVSA-N 0 0 306.409 4.042 50 10 DICARN O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(Cl)cc1 ZINC000000088871 180688807 /nfs/dbraw/zinc/68/88/07/180688807.db2.gz NADKACHHBJNHNB-UKTHLTGXSA-N 0 0 300.716 4.460 50 10 DICARN Cc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3ccccc3O)C2)cc1 ZINC000000224315 180731921 /nfs/dbraw/zinc/73/19/21/180731921.db2.gz DORWSYGQYULPMT-UYAOXDASSA-N 0 0 308.425 4.206 50 10 DICARN CCc1ccc(N2N=C(C)/C(=C/c3ccc(C)s3)C2=O)cc1 ZINC000000356539 180765734 /nfs/dbraw/zinc/76/57/34/180765734.db2.gz NXXXRIMFFNVPRD-BOPFTXTBSA-N 0 0 310.422 4.425 50 10 DICARN O=C1/C(=C/c2ccsc2)SC(=S)N1Cc1ccccc1 ZINC000001059881 180843973 /nfs/dbraw/zinc/84/39/73/180843973.db2.gz XLYSLLQYHRXNPV-JYRVWZFOSA-N 0 0 317.460 4.150 50 10 DICARN O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(F)cc1 ZINC000001198334 180849246 /nfs/dbraw/zinc/84/92/46/180849246.db2.gz XZNOXUJMSIYRNA-XYOKQWHBSA-N 0 0 321.423 4.293 50 10 DICARN CCCCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1 ZINC000002678026 180946964 /nfs/dbraw/zinc/94/69/64/180946964.db2.gz OUNPCJUFDZNTBV-SDNWHVSQSA-N 0 0 321.467 4.087 50 10 DICARN CCO/C=C1\SC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000003119196 180982910 /nfs/dbraw/zinc/98/29/10/180982910.db2.gz YYCBADDCZFQENL-LCYFTJDESA-N 0 0 307.440 4.053 50 10 DICARN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004132360 181077212 /nfs/dbraw/zinc/07/72/12/181077212.db2.gz PBFILKVCIGDQFW-GJYPPUQNSA-N 0 0 323.367 4.439 50 10 DICARN O=C1/C(=C\c2cccs2)SC(=S)N1Cc1ccccc1 ZINC000004471063 181111456 /nfs/dbraw/zinc/11/14/56/181111456.db2.gz XZFUWESAUXPVMY-UKTHLTGXSA-N 0 0 317.460 4.150 50 10 DICARN COc1cc(/N=N/c2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000004499373 181115786 /nfs/dbraw/zinc/11/57/86/181115786.db2.gz BTSIFWXSKRSLQP-WUKNDPDISA-N 0 0 300.318 4.085 50 10 DICARN CCCCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S ZINC000004579217 181126781 /nfs/dbraw/zinc/12/67/81/181126781.db2.gz JPCFOAXOPUCUCU-FMIVXFBMSA-N 0 0 311.859 4.341 50 10 DICARN COc1ccc(N2CO[C@@H]3c4cccc5cccc(c45)[C@@H]32)cc1 ZINC000004661574 181133698 /nfs/dbraw/zinc/13/36/98/181133698.db2.gz BYQXURRZEZYMMJ-VQTJNVASSA-N 0 0 303.361 4.439 50 10 DICARN Cc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)c(C)c1 ZINC000004844780 181161911 /nfs/dbraw/zinc/16/19/11/181161911.db2.gz JAZIMXQMPARBRH-NTEUORMPSA-N 0 0 315.419 4.302 50 10 DICARN CCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000005502658 181250304 /nfs/dbraw/zinc/25/03/04/181250304.db2.gz QJOWEXGSLBEFSJ-JLHYYAGUSA-N 0 0 309.431 4.217 50 10 DICARN CCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000005502624 181250658 /nfs/dbraw/zinc/25/06/58/181250658.db2.gz POBRRQKOYQJMDQ-JLHYYAGUSA-N 0 0 309.431 4.217 50 10 DICARN O=C1CSC(=S)N1c1ccc(Cl)c(Cl)c1Cl ZINC000006219899 181320209 /nfs/dbraw/zinc/32/02/09/181320209.db2.gz TZCLCKFFWTVZBM-UHFFFAOYSA-N 0 0 312.630 4.012 50 10 DICARN CCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000006294196 181327276 /nfs/dbraw/zinc/32/72/76/181327276.db2.gz MSWNSAQKNBDADP-NTCAYCPXSA-N 0 0 320.820 4.045 50 10 DICARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccccc1C ZINC000006556663 181354450 /nfs/dbraw/zinc/35/44/50/181354450.db2.gz OOPCNNZALQZVMY-SFQUDFHCSA-N 0 0 319.408 4.330 50 10 DICARN CC(C)C[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3O)=NN21 ZINC000006721578 181376561 /nfs/dbraw/zinc/37/65/61/181376561.db2.gz LOWDPXRSLOYASX-PXNSSMCTSA-N 0 0 322.408 4.308 50 10 DICARN CCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000013133011 181832001 /nfs/dbraw/zinc/83/20/01/181832001.db2.gz HTOABIVQTINXDJ-FOCLMDBBSA-N 0 0 315.289 4.028 50 10 DICARN Cc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000013150228 181834151 /nfs/dbraw/zinc/83/41/51/181834151.db2.gz KOIYSFDNAAXVLR-LCYFTJDESA-N 0 0 307.440 4.122 50 10 DICARN Cc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000016954480 182065948 /nfs/dbraw/zinc/06/59/48/182065948.db2.gz ZIALJZWWYAOTSG-PTNGSMBKSA-N 0 0 311.431 4.401 50 10 DICARN CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000019736804 182140523 /nfs/dbraw/zinc/14/05/23/182140523.db2.gz ZXTOHUBZLJDIMN-KBPBESRZSA-N 0 0 312.413 4.188 50 10 DICARN COc1ccc2[nH]cc(/C=C3\C(=O)Nc4cc(Cl)ccc43)c2c1 ZINC000062001446 184200385 /nfs/dbraw/zinc/20/03/85/184200385.db2.gz JEERNFYWSUOXDC-UUASQNMZSA-N 0 0 324.767 4.323 50 10 biogenic DICARN Cc1ccc(C)c(NC(=O)/C=C/c2ccc3c(c2)CCCN3C)c1 ZINC000058175754 134792635 /nfs/dbraw/zinc/79/26/35/134792635.db2.gz HONZJPCZPBLPBY-PKNBQFBNSA-N 0 0 320.436 4.338 50 10 DICARN Cc1ccc(-c2ccnc(N[C@@H](C)c3ccccc3O)n2)c(C)n1 ZINC000071404103 331922150 /nfs/dbraw/zinc/92/21/50/331922150.db2.gz MTOHJLFTVSMDGD-AWEZNQCLSA-N 0 0 320.396 4.034 50 10 DICARN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000023282122 563434763 /nfs/dbraw/zinc/43/47/63/563434763.db2.gz MQNDNJSMBXTTCT-UHFFFAOYSA-N 0 0 308.208 4.257 50 10 DICARN CN(C)c1ccc([C@@H]2[C@H]3CCCc4ccccc4C3=NN2C)cc1 ZINC000000104218 563217638 /nfs/dbraw/zinc/21/76/38/563217638.db2.gz ZEGXDKXOBNMNHM-PZJWPPBQSA-N 0 0 319.452 4.096 50 10 DICARN CC(=O)N[C@@H](c1ccc(C)cc1)c1c(O)ccc2ccccc21 ZINC000000245363 563233404 /nfs/dbraw/zinc/23/34/04/563233404.db2.gz GIMPCZSTOHFERA-FQEVSTJZSA-N 0 0 305.377 4.079 50 10 DICARN CCOc1ccc(C2Nc3cccc4cccc(c43)N2)c(O)c1 ZINC000000407806 563252133 /nfs/dbraw/zinc/25/21/33/563252133.db2.gz JGLZUOIXLUNXAB-UHFFFAOYSA-N 0 0 306.365 4.480 50 10 DICARN Cc1ccc(-c2ccccc2)n1-c1ccc(N2CCOCC2)cc1 ZINC000000453820 563257062 /nfs/dbraw/zinc/25/70/62/563257062.db2.gz VYVAGARMEDOEGF-UHFFFAOYSA-N 0 0 318.420 4.289 50 10 DICARN Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000000970814 563273334 /nfs/dbraw/zinc/27/33/34/563273334.db2.gz GYXARPDYRNLEGN-RVKKMQEKSA-N 0 0 307.353 4.004 50 10 DICARN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(Cl)c1 ZINC000001124531 563277701 /nfs/dbraw/zinc/27/77/01/563277701.db2.gz HHOXGNBMSIDRTQ-UHFFFAOYSA-N 0 0 300.789 4.193 50 10 DICARN CCCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000001165747 563278496 /nfs/dbraw/zinc/27/84/96/563278496.db2.gz TWKZBYTULJZSQD-XFFZJAGNSA-N 0 0 315.822 4.090 50 10 DICARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1C1CCCCC1 ZINC000001208112 563279482 /nfs/dbraw/zinc/27/94/82/563279482.db2.gz IAUCPYZYPBWNPB-ZROIWOOFSA-N 0 0 320.483 4.099 50 10 DICARN O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc(Cl)cc1 ZINC000002219336 563302116 /nfs/dbraw/zinc/30/21/16/563302116.db2.gz CWFUXQIONFFNDD-XYOKQWHBSA-N 0 0 321.810 4.339 50 10 DICARN CC(C)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000011565498 563357965 /nfs/dbraw/zinc/35/79/65/563357965.db2.gz CIIRQRPAVKXIJB-FQEVSTJZSA-N 0 0 319.404 4.407 50 10 DICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000012379723 563367533 /nfs/dbraw/zinc/36/75/33/563367533.db2.gz CWHDDTLXIGOBHV-FUHIMQAGSA-N 0 0 304.393 4.472 50 10 DICARN CCOc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1C ZINC000012412011 563368814 /nfs/dbraw/zinc/36/88/14/563368814.db2.gz LYALSRVVBNTLTN-ATVHPVEESA-N 0 0 323.417 4.455 50 10 DICARN COC(=O)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013389492 563381234 /nfs/dbraw/zinc/38/12/34/563381234.db2.gz UQTHKOJLUAKIEL-RKVPGOIHSA-N 0 0 323.367 4.439 50 10 DICARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1C1CCCCC1 ZINC000013771020 563388758 /nfs/dbraw/zinc/38/87/58/563388758.db2.gz OODBVTVMWJUDNM-UVTDQMKNSA-N 0 0 321.442 4.360 50 10 DICARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccccc1 ZINC000027533610 563427954 /nfs/dbraw/zinc/42/79/54/563427954.db2.gz AMFMZFPOULURKP-QXAPVUDZSA-N 0 0 313.403 4.242 50 10 DICARN CCCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000033387815 563445738 /nfs/dbraw/zinc/44/57/38/563445738.db2.gz SBYJCVSJYZVJIZ-APBFJCRLSA-N 0 0 303.452 4.244 50 10 DICARN O=C1N=C(N2CCCCC2)S/C1=C/c1cccc2ccccc12 ZINC000000064274 563516828 /nfs/dbraw/zinc/51/68/28/563516828.db2.gz ZHPLKFHUEKCMHM-GHRIWEEISA-N 0 0 322.433 4.296 50 10 DICARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCCCC2)c2ccccc12 ZINC000000142655 563572828 /nfs/dbraw/zinc/57/28/28/563572828.db2.gz HYJRYLSDSHMEHF-UHFFFAOYSA-N 0 0 323.392 4.028 50 10 DICARN O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCCCC3)o2)cc1 ZINC000000258064 563582864 /nfs/dbraw/zinc/58/28/64/563582864.db2.gz PVTZGVLYRYULBL-UHFFFAOYSA-N 0 0 316.382 4.016 50 10 DICARN Oc1ccccc1C1=NN[C@@H](c2ccc3ccccc3c2)S1 ZINC000003151180 563638281 /nfs/dbraw/zinc/63/82/81/563638281.db2.gz UPSFLYNKZIBVCC-QGZVFWFLSA-N 0 0 306.390 4.242 50 10 DICARN CC1=NN(c2ccccc2C)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000018193104 563652786 /nfs/dbraw/zinc/65/27/86/563652786.db2.gz RXOBYXQOZQTWPN-GZTJUZNOSA-N 0 0 315.376 4.282 50 10 DICARN CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC[C@@H](C)C1 ZINC000000521610 563664115 /nfs/dbraw/zinc/66/41/15/563664115.db2.gz MTAPFBHZELYDAZ-WMSNYHIESA-N 0 0 314.389 4.075 50 10 DICARN COc1ccc(NC=C2C(C)=NN(c3ccccc3)C2=S)cc1 ZINC000106898340 563682379 /nfs/dbraw/zinc/68/23/79/563682379.db2.gz BETZWVBLPPLZNN-SFQUDFHCSA-N 0 0 323.421 4.215 50 10 DICARN CCc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000044845475 563685457 /nfs/dbraw/zinc/68/54/57/563685457.db2.gz YEYNMAFNWJLLLA-UHFFFAOYSA-N 0 0 323.440 4.171 50 10 DICARN Cc1cc2n(n1)[C@@H](c1ccccc1O)Nc1c(C)cc(C)cc1-2 ZINC000000818063 563720225 /nfs/dbraw/zinc/72/02/25/563720225.db2.gz BXVWLYWLNKONLJ-IBGZPJMESA-N 0 0 305.381 4.153 50 10 DICARN O=C1/C(=C/c2cccs2)SC(=S)N1c1cccc(F)c1 ZINC000001004915 563786680 /nfs/dbraw/zinc/78/66/80/563786680.db2.gz QABJVNAQHYPQLR-WQLSENKSSA-N 0 0 321.423 4.293 50 10 DICARN CN(C)c1ccc(/C=C\c2ccnc3c2cccc3[N+](=O)[O-])cc1 ZINC000017062643 563912541 /nfs/dbraw/zinc/91/25/41/563912541.db2.gz RMJYQZOCZQRSIH-TWGQIWQCSA-N 0 0 319.364 4.379 50 10 DICARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cnsn1 ZINC000012289016 563928641 /nfs/dbraw/zinc/92/86/41/563928641.db2.gz NBPRBPCHNFMFCV-VHEBQXMUSA-N 0 0 309.354 4.206 50 10 DICARN CCCn1c2ccccc2nc1NC(=O)Nc1ccc(OC)cc1 ZINC000027923656 563930088 /nfs/dbraw/zinc/93/00/88/563930088.db2.gz XZKCHWAXWSDOJD-UHFFFAOYSA-N 0 0 324.384 4.099 50 10 DICARN Cc1noc2ncc(NCc3ccc(N4CCCCC4)cc3)cc12 ZINC000095943684 563932049 /nfs/dbraw/zinc/93/20/49/563932049.db2.gz IEDBZFLYKPJOSO-UHFFFAOYSA-N 0 0 322.412 4.134 50 10 DICARN Cc1cc(C2(Cl)C(=O)c3ccccc3C2=O)c(C)c(C)c1C ZINC000022780539 1038375923 /nfs/dbraw/zinc/37/59/23/1038375923.db2.gz QFVSATFGKJKTCC-UHFFFAOYSA-N 0 0 312.796 4.434 50 10 DICARN Cc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000002701162 1041819945 /nfs/dbraw/zinc/81/99/45/1041819945.db2.gz KOIYSFDNAAXVLR-UKTHLTGXSA-N 0 0 307.440 4.122 50 10 DICARN CN(Cc1ccccc1O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000047336558 1041824508 /nfs/dbraw/zinc/82/45/08/1041824508.db2.gz ZOYORWQMVVQVRM-UHFFFAOYSA-N 0 0 324.302 4.075 50 10 DICARN Cc1cc(/C=C/C(=O)N2CCc3ccccc32)c(C)n1C1CC1 ZINC000012894684 1045121889 /nfs/dbraw/zinc/12/18/89/1045121889.db2.gz GCIFWAIDWDWGMA-JXMROGBWSA-N 0 0 306.409 4.042 50 10 DICARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)NC1CCOCC1 ZINC000254624697 1047227302 /nfs/dbraw/zinc/22/73/02/1047227302.db2.gz QOJNUDMFSVIWDI-UHFFFAOYSA-N 0 0 324.384 4.403 50 10 DICARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccsc3)S2)c1 ZINC000096663400 185385197 /nfs/dbraw/zinc/38/51/97/185385197.db2.gz BFWOJQBSCBHXIO-ZSOIEALJSA-N 0 0 314.435 4.447 50 10 DICARN C[C@H](NC(=O)C(C)(C)C)c1ccc(N2CCC(C)CC2)cc1 ZINC000072117672 191039439 /nfs/dbraw/zinc/03/94/39/191039439.db2.gz KCIFJNIFDDVRCU-HNNXBMFYSA-N 0 0 302.462 4.146 50 10 DICARN Cc1cc2n(n1)[C@@H](c1cc(C)ccc1O)Nc1c(C)cccc1-2 ZINC000000818139 180835194 /nfs/dbraw/zinc/83/51/94/180835194.db2.gz CKNCLKDFDPOYJH-IBGZPJMESA-N 0 0 305.381 4.153 50 10 DICARN c1ccn(-c2ccc(-c3noc(COc4ccccc4)n3)cc2)c1 ZINC000001422042 180864346 /nfs/dbraw/zinc/86/43/46/180864346.db2.gz NNZQXFUIYPQBHT-UHFFFAOYSA-N 0 0 317.348 4.106 50 10 DICARN Cc1nc2ccccn2c1-c1csc(Nc2ccc(N)cc2)n1 ZINC000003877871 181051915 /nfs/dbraw/zinc/05/19/15/181051915.db2.gz DVTZUKBPCGZIMH-UHFFFAOYSA-N 0 0 321.409 4.092 50 10 DICARN COc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004007949 181062203 /nfs/dbraw/zinc/06/22/03/181062203.db2.gz OSICTFVGWMISBJ-RLFYNMQTSA-N 0 0 322.364 4.430 50 10 DICARN Cc1nc(N)sc1-c1csc(Nc2cccc(C)c2)n1 ZINC000004007404 181062281 /nfs/dbraw/zinc/06/22/81/181062281.db2.gz CWQXEVSCLYEPKJ-UHFFFAOYSA-N 0 0 302.428 4.209 50 10 DICARN COc1ccc(NN=C2C=c3c(C)cc(=O)oc3=CC2=O)cc1 ZINC000004109570 181074498 /nfs/dbraw/zinc/07/44/98/181074498.db2.gz ODTDEBPPPNCAQJ-VHEBQXMUSA-N 0 0 310.309 4.231 50 10 biogenic DICARN Oc1ccccc1[C@@H]1CC(c2cccnc2)=NN1c1ccccc1 ZINC000004567015 181125475 /nfs/dbraw/zinc/12/54/75/181125475.db2.gz OTYKKEDYJMXSTM-IBGZPJMESA-N 0 0 315.376 4.143 50 10 DICARN CC(C)c1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000004591875 181128184 /nfs/dbraw/zinc/12/81/84/181128184.db2.gz SPVMHSLIEHEIJS-ATVHPVEESA-N 0 0 306.365 4.112 50 10 DICARN Nc1ccc2nn(-c3ccccc3)nc2c1/N=N/c1ccccc1 ZINC000004753894 181148541 /nfs/dbraw/zinc/14/85/41/181148541.db2.gz KYYNVAIAQBZORN-QZQOTICOSA-N 0 0 314.352 4.418 50 10 DICARN CC(C)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000004833610 181159557 /nfs/dbraw/zinc/15/95/57/181159557.db2.gz GLBIZKROQAWLNK-XNTDXEJSSA-N 0 0 313.447 4.449 50 10 DICARN O=C1C=c2oc(=O)c3c(c2=CC1=NNc1ccccc1)CCC3 ZINC000004844222 181162014 /nfs/dbraw/zinc/16/20/14/181162014.db2.gz XRBPFCCDLOJHKP-FMQUCBEESA-N 0 0 306.321 4.403 50 10 DICARN O=C(CSc1ccc2ccccc2c1)c1ccc(O)c(O)c1 ZINC000004886514 181168092 /nfs/dbraw/zinc/16/80/92/181168092.db2.gz VKSOAHZQNPEWBN-UHFFFAOYSA-N 0 0 310.374 4.226 50 10 DICARN O=[N+]([O-])c1ccc(NN=Nc2ccc(Br)cc2)cc1 ZINC000004951249 181178283 /nfs/dbraw/zinc/17/82/83/181178283.db2.gz QIMXKSMRIDDQQV-UHFFFAOYSA-N 0 0 321.134 4.468 50 10 DICARN Cc1ccccc1C=C1SC(Nc2ccccc2C)=NC1=O ZINC000005214629 181217479 /nfs/dbraw/zinc/21/74/79/181217479.db2.gz GUSHAKDPPXTVSY-WJDWOHSUSA-N 0 0 308.406 4.386 50 10 DICARN COc1ccccc1NN=C1C=c2c(C)cc(=O)oc2=CC1=O ZINC000005534405 181254342 /nfs/dbraw/zinc/25/43/42/181254342.db2.gz ITLPVTALLQIBCW-VHEBQXMUSA-N 0 0 310.309 4.231 50 10 DICARN O=C1/C(=C\c2cccs2)SC(=S)N1c1ccccc1F ZINC000005544840 181255346 /nfs/dbraw/zinc/25/53/46/181255346.db2.gz JDHSMYTYWWNBLT-XYOKQWHBSA-N 0 0 321.423 4.293 50 10 DICARN COc1ccc(/C=C/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000005657139 181268817 /nfs/dbraw/zinc/26/88/17/181268817.db2.gz OUXKHRHTBMBHHH-XAUAACNYSA-N 0 0 318.376 4.058 50 10 DICARN Cc1cc(C)cc(NC2=NC(=O)C(=Cc3ccccc3)S2)c1 ZINC000005797083 181285261 /nfs/dbraw/zinc/28/52/61/181285261.db2.gz LYKAZYLFKQOBAY-LFIBNONCSA-N 0 0 308.406 4.386 50 10 DICARN O=C1C(=CNc2ccccc2)SC(=S)N1c1ccccc1 ZINC000006343963 181332646 /nfs/dbraw/zinc/33/26/46/181332646.db2.gz KLYWQTAQHRSEGQ-SDNWHVSQSA-N 0 0 312.419 4.005 50 10 DICARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCCC1 ZINC000006721828 181376371 /nfs/dbraw/zinc/37/63/71/181376371.db2.gz JSDXSVUFKUDBSG-QGZVFWFLSA-N 0 0 320.392 4.206 50 10 DICARN Cc1cc2n(n1)[C@H](c1ccc(N(C)C)cc1)Nc1c(C)cccc1-2 ZINC000006720920 181376420 /nfs/dbraw/zinc/37/64/20/181376420.db2.gz FTQQVGOWABSVCG-HXUWFJFHSA-N 0 0 318.424 4.205 50 10 DICARN CCc1noc(CNc2cc3oc4ccccc4c3cc2OC)n1 ZINC000095953292 193456820 /nfs/dbraw/zinc/45/68/20/193456820.db2.gz FXCYKSSDGKVOJW-UHFFFAOYSA-N 0 0 323.352 4.152 50 10 DICARN CCCCCCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000019736550 182140914 /nfs/dbraw/zinc/14/09/14/182140914.db2.gz QUHCGXBJKKZLKV-UHFFFAOYSA-N 0 0 312.413 4.480 50 10 DICARN CCNc1cc(NC(C)C)c2c3c1noc3-c1ccccc1C2=O ZINC000020322280 182206774 /nfs/dbraw/zinc/20/67/74/182206774.db2.gz TUAFCMWLTWBHIX-UHFFFAOYSA-N 0 0 321.380 4.291 50 10 DICARN C[C@@H](NC(=S)N(C)[C@H](C)c1ccccc1O)c1ccccc1 ZINC000044073901 183393795 /nfs/dbraw/zinc/39/37/95/183393795.db2.gz ZAGNZGGGZVFWLT-ZIAGYGMSSA-N 0 0 314.454 4.021 50 10 DICARN CN(c1ccc(CNC(=O)C(C)(C)C)cc1)C1CCCCC1 ZINC000060157429 184144886 /nfs/dbraw/zinc/14/48/86/184144886.db2.gz WSCPTUBTURJSOE-UHFFFAOYSA-N 0 0 302.462 4.118 50 10 DICARN Cc1nc([C@@H](C)N(C)Cc2cc(Cl)ccc2O)c(C)s1 ZINC000065409831 184339874 /nfs/dbraw/zinc/33/98/74/184339874.db2.gz RXGITICTQBRYCA-SECBINFHSA-N 0 0 310.850 4.312 50 10 DICARN Cc1nc([C@H](C)N(C)Cc2cc(Cl)ccc2O)c(C)s1 ZINC000065409833 184340361 /nfs/dbraw/zinc/34/03/61/184340361.db2.gz RXGITICTQBRYCA-VIFPVBQESA-N 0 0 310.850 4.312 50 10 DICARN COc1ccc(/C=C/C=C2\C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000100354013 257272825 /nfs/dbraw/zinc/27/28/25/257272825.db2.gz OUXKHRHTBMBHHH-UKRGCJTISA-N 0 0 318.376 4.058 50 10 DICARN COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000071798572 184845723 /nfs/dbraw/zinc/84/57/23/184845723.db2.gz AJPWEVVEYQPNPV-VIFPVBQESA-N 0 0 322.748 4.136 50 10 DICARN C[C@H](Sc1nccs1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000133245384 196324372 /nfs/dbraw/zinc/32/43/72/196324372.db2.gz OLHPAVGIUNZANZ-QWRGUYRKSA-N 0 0 324.496 4.049 50 10 DICARN O=C1N=C(Nc2ccc(O)cc2)SC1=CC=Cc1ccccc1 ZINC000033286372 518202406 /nfs/dbraw/zinc/20/24/06/518202406.db2.gz XCFJKBZYYCXPMI-WLTDFXCXSA-N 0 0 322.389 4.031 50 10 DICARN O=C1N=C(N2CCCCCC2)S/C1=C/c1ccccc1Cl ZINC000000441310 563614954 /nfs/dbraw/zinc/61/49/54/563614954.db2.gz BDLPNOJYLRKEPA-SDNWHVSQSA-N 0 0 320.845 4.186 50 10 DICARN FC(F)(F)c1ccccc1NC(=S)NNc1ccccc1 ZINC000000098400 563216383 /nfs/dbraw/zinc/21/63/83/563216383.db2.gz JGRPUEHJANBXLX-UHFFFAOYSA-N 0 0 311.332 4.019 50 10 DICARN C[C@H](Nc1nc2ccccc2n1C)c1cc(Cl)ccc1O ZINC000000111439 563218477 /nfs/dbraw/zinc/21/84/77/563218477.db2.gz HAUIOALYYGJBOI-JTQLQIEISA-N 0 0 301.777 4.105 50 10 DICARN Cc1ccc(NCc2cc(Br)ccc2O)cc1C ZINC000000339224 563241956 /nfs/dbraw/zinc/24/19/56/563241956.db2.gz YTRXTWUSKNADKA-UHFFFAOYSA-N 0 0 306.203 4.384 50 10 DICARN CC(C)n1c2ccccc2nc1NCc1ccc(N(C)C)cc1 ZINC000000617420 563270186 /nfs/dbraw/zinc/27/01/86/563270186.db2.gz CQNOTBWJUJFIAS-UHFFFAOYSA-N 0 0 308.429 4.295 50 10 DICARN CCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001188401 563278395 /nfs/dbraw/zinc/27/83/95/563278395.db2.gz JCCOTDXBJVBBNF-POHAHGRESA-N 0 0 318.250 4.215 50 10 DICARN Cc1ccccc1N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001749105 563294667 /nfs/dbraw/zinc/29/46/67/563294667.db2.gz PYLOZZNEPYAUOS-PTNGSMBKSA-N 0 0 311.431 4.401 50 10 DICARN O=C1N=C(Nc2cccc(O)c2)SC1=CC=Cc1ccccc1 ZINC000005593848 563330417 /nfs/dbraw/zinc/33/04/17/563330417.db2.gz STHFXPJHTQVVER-MAHQCVNESA-N 0 0 322.389 4.031 50 10 DICARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1 ZINC000012410901 563369255 /nfs/dbraw/zinc/36/92/55/563369255.db2.gz GCAXRXVOYJISBF-LGMDPLHJSA-N 0 0 323.371 4.324 50 10 DICARN COc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000013389343 563381332 /nfs/dbraw/zinc/38/13/32/563381332.db2.gz OSICTFVGWMISBJ-IIDMSEBBSA-N 0 0 322.364 4.430 50 10 DICARN CC(C)(C)c1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 ZINC000013547651 563383379 /nfs/dbraw/zinc/38/33/79/563383379.db2.gz IVDFKPMUDCRTNH-QINSGFPZSA-N 0 0 314.454 4.050 50 10 DICARN O=C1OC(c2ccccc2)=C/C1=C\c1c(F)cccc1Cl ZINC000015016353 563405463 /nfs/dbraw/zinc/40/54/63/563405463.db2.gz UDJLXIVJFPWQFM-FMIVXFBMSA-N 0 0 300.716 4.460 50 10 DICARN Cc1cc(C(=O)N[C@@H](C)c2ccco2)c(C)n1-c1ccc(C)cc1 ZINC000025260738 563421892 /nfs/dbraw/zinc/42/18/92/563421892.db2.gz YSIZJDWETYJSTN-HNNXBMFYSA-N 0 0 322.408 4.487 50 10 DICARN CCC(=O)N[C@H](c1cccs1)c1ccc2ccccc2c1O ZINC000000236476 563447677 /nfs/dbraw/zinc/44/76/77/563447677.db2.gz LQPIYVZPQAGNKI-KRWDZBQOSA-N 0 0 311.406 4.223 50 10 DICARN CN(C)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000036644203 563456682 /nfs/dbraw/zinc/45/66/82/563456682.db2.gz QLORXNJYCJIROQ-UHFFFAOYSA-N 0 0 309.196 4.312 50 10 DICARN CSc1ccc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)cc1 ZINC000033034005 563469176 /nfs/dbraw/zinc/46/91/76/563469176.db2.gz JGRZPPQACLRFGN-UHFFFAOYSA-N 0 0 313.466 4.235 50 10 DICARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccccc1 ZINC000033308004 563519193 /nfs/dbraw/zinc/51/91/93/563519193.db2.gz AJBZLQWUUFGTMB-MHWRWJLKSA-N 0 0 310.784 4.455 50 10 DICARN COc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000000197857 563577404 /nfs/dbraw/zinc/57/74/04/563577404.db2.gz HQFYDZBANYJBNB-RVKKMQEKSA-N 0 0 322.364 4.430 50 10 DICARN CCOc1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1 ZINC000000298598 563586741 /nfs/dbraw/zinc/58/67/41/563586741.db2.gz GJWCPASCXDMSNQ-FOWTUZBSSA-N 0 0 322.360 4.075 50 10 DICARN COc1cc2c(cc1OC)/C(=C\c1ccc(N(C)C)cc1)C=C2 ZINC000002015801 563620925 /nfs/dbraw/zinc/62/09/25/563620925.db2.gz AGPRWMSPKUNAAF-PTNGSMBKSA-N 0 0 307.393 4.337 50 10 DICARN CCCC(=O)C[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O ZINC000100296811 563629241 /nfs/dbraw/zinc/62/92/41/563629241.db2.gz FBHCOKUHTZKSOK-GOSISDBHSA-N 0 0 320.388 4.225 50 10 DICARN COc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000001421781 563823123 /nfs/dbraw/zinc/82/31/23/563823123.db2.gz QKGHHQDYDFBXDI-UHFFFAOYSA-N 0 0 317.348 4.203 50 10 DICARN Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000001465337 563837141 /nfs/dbraw/zinc/83/71/41/563837141.db2.gz OQFKCACNJXVXIG-UHFFFAOYSA-N 0 0 316.832 4.026 50 10 DICARN NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000169678741 563895136 /nfs/dbraw/zinc/89/51/36/563895136.db2.gz YMCZVBKCPVOUFC-IIDMSEBBSA-N 0 0 324.811 4.265 50 10 DICARN Cn1c(/C=C2/C(=O)Nc3ccccc32)ccc1-c1ccccc1 ZINC000067300025 563948872 /nfs/dbraw/zinc/94/88/72/563948872.db2.gz BJKPXLBYRGRPOG-GHRIWEEISA-N 0 0 300.361 4.185 50 10 DICARN Cc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1N1CCCC1 ZINC000000479318 568414147 /nfs/dbraw/zinc/41/41/47/568414147.db2.gz MHUQFRNQUSYOMN-GHRIWEEISA-N 0 0 304.393 4.088 50 10 DICARN Cc1nc(N)sc1-c1csc(Nc2ccccc2F)n1 ZINC000000612726 1047365141 /nfs/dbraw/zinc/36/51/41/1047365141.db2.gz QLGIONUAXQCXFN-UHFFFAOYSA-N 0 0 306.391 4.040 50 10 DICARN