smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1noc(CCCC(=O)NN2CC(=O)[N-]C2=O)n1 ZINC000048248910 790332078 /nfs/dbraw/zinc/33/20/78/790332078.db2.gz KRZHENIFBXVJNG-UHFFFAOYSA-N -1 1 295.299 -0.072 20 0 CBADMM Cc1cnn(CCC(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000048733627 790333663 /nfs/dbraw/zinc/33/36/63/790333663.db2.gz GAKXIODXTYLPAB-UHFFFAOYSA-N -1 1 251.246 -0.835 20 0 CBADMM O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccncc1[O-] ZINC000082310337 790362964 /nfs/dbraw/zinc/36/29/64/790362964.db2.gz ODZDVXZGGJZBJS-SSDOTTSWSA-N -1 1 256.283 -0.296 20 0 CBADMM CCC(CC)(NC(=O)[C@H]1COCCO1)c1nn[n-]n1 ZINC000095261848 790379249 /nfs/dbraw/zinc/37/92/49/790379249.db2.gz XSEMLIUHSCCSDN-MRVPVSSYSA-N -1 1 269.305 -0.253 20 0 CBADMM CCOC(=O)CS(=O)(=O)[N-][C@@H](CC)C(=O)OC ZINC000303442262 790470741 /nfs/dbraw/zinc/47/07/41/790470741.db2.gz BWANJKXQCXPMEV-ZETCQYMHSA-N -1 1 267.303 -0.580 20 0 CBADMM 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NC(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822879976 582651262 /nfs/dbraw/zinc/65/12/62/582651262.db2.gz KFUVHCQMMYYVRV-UHFFFAOYSA-N -1 1 281.301 -0.674 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCCCO1 ZINC000822903380 582652516 /nfs/dbraw/zinc/65/25/16/582652516.db2.gz KSMBVTXTSNCBNZ-SSDOTTSWSA-N -1 1 263.261 -0.145 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCCCO1 ZINC000822903381 582652606 /nfs/dbraw/zinc/65/26/06/582652606.db2.gz KSMBVTXTSNCBNZ-ZETCQYMHSA-N -1 1 263.261 -0.145 20 0 CBADMM Nc1ccnc(CNc2nccnc2-c2nnn[n-]2)n1 ZINC000822907556 582652636 /nfs/dbraw/zinc/65/26/36/582652636.db2.gz SQARODCHASISQZ-UHFFFAOYSA-N -1 1 270.260 -0.359 20 0 CBADMM Nc1ccnc(CNc2nccnc2-c2nn[n-]n2)n1 ZINC000822907556 582652639 /nfs/dbraw/zinc/65/26/39/582652639.db2.gz SQARODCHASISQZ-UHFFFAOYSA-N -1 1 270.260 -0.359 20 0 CBADMM O=C(CNC(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823000924 582655075 /nfs/dbraw/zinc/65/50/75/582655075.db2.gz FDOFBBHFOYPAFM-UHFFFAOYSA-N -1 1 293.312 -0.212 20 0 CBADMM O=C(CNC(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823000924 582655077 /nfs/dbraw/zinc/65/50/77/582655077.db2.gz FDOFBBHFOYPAFM-UHFFFAOYSA-N -1 1 293.312 -0.212 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H]2CCC[C@H]21 ZINC000823122415 582659153 /nfs/dbraw/zinc/65/91/53/582659153.db2.gz AMNWDELENOYRKW-JGVFFNPUSA-N -1 1 274.288 -0.531 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CC=CCC1 ZINC000823127315 582659618 /nfs/dbraw/zinc/65/96/18/582659618.db2.gz ZMTNXHMNCZCXTG-SECBINFHSA-N -1 1 288.315 -0.069 20 0 CBADMM O=C(NCC1(O)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823171536 582662106 /nfs/dbraw/zinc/66/21/06/582662106.db2.gz XFFRNMLSDVCAJF-UHFFFAOYSA-N -1 1 274.284 -0.094 20 0 CBADMM O=C(NCC1(O)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823171536 582662109 /nfs/dbraw/zinc/66/21/09/582662109.db2.gz XFFRNMLSDVCAJF-UHFFFAOYSA-N -1 1 274.284 -0.094 20 0 CBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC000823229253 582663891 /nfs/dbraw/zinc/66/38/91/582663891.db2.gz JGDQEVUGUOZLSR-UHFFFAOYSA-N -1 1 276.304 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288.271 -0.703 20 0 CBADMM O=C(OC[C@H]1COC(=O)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823551121 582673453 /nfs/dbraw/zinc/67/34/53/582673453.db2.gz GDIMMXUSEYOASV-ZETCQYMHSA-N -1 1 291.223 -0.046 20 0 CBADMM O=C(OC[C@H]1COC(=O)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823551121 582673455 /nfs/dbraw/zinc/67/34/55/582673455.db2.gz GDIMMXUSEYOASV-ZETCQYMHSA-N -1 1 291.223 -0.046 20 0 CBADMM CC(C)[C@@H](CCN(C)CC(=O)NC(N)=O)NC(=O)[O-] ZINC000824099976 582687265 /nfs/dbraw/zinc/68/72/65/582687265.db2.gz SPEXBTAFWNMVQG-MRVPVSSYSA-N -1 1 274.321 -0.205 20 0 CBADMM CC(C)(CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824162632 582689049 /nfs/dbraw/zinc/68/90/49/582689049.db2.gz KHCGHZSZNVXXBO-UHFFFAOYSA-N -1 1 262.273 -0.238 20 0 CBADMM CC(C)(CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824162632 582689052 /nfs/dbraw/zinc/68/90/52/582689052.db2.gz KHCGHZSZNVXXBO-UHFFFAOYSA-N -1 1 262.273 -0.238 20 0 CBADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)C(N)=O ZINC000824157289 582689068 /nfs/dbraw/zinc/68/90/68/582689068.db2.gz 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C[C@H](C[C@H](C)O)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824697328 582705938 /nfs/dbraw/zinc/70/59/38/582705938.db2.gz BXTHIZXCFOZDCO-RQJHMYQMSA-N -1 1 294.319 -0.119 20 0 CBADMM C[C@H](C[C@H](C)O)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824697328 582705939 /nfs/dbraw/zinc/70/59/39/582705939.db2.gz BXTHIZXCFOZDCO-RQJHMYQMSA-N -1 1 294.319 -0.119 20 0 CBADMM C[C@]1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCOC1 ZINC000824829509 582711142 /nfs/dbraw/zinc/71/11/42/582711142.db2.gz FDQUWMFVSOJJGU-NSHDSACASA-N -1 1 292.303 -0.857 20 0 CBADMM C[C@@H](CN(C)C(=O)[O-])C(=O)NC[C@H]1CN(C)CCN1C ZINC000824855227 582712917 /nfs/dbraw/zinc/71/29/17/582712917.db2.gz PRHRQJXUSBVGOO-QWRGUYRKSA-N -1 1 286.376 -0.406 20 0 CBADMM C[C@@H]1C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824858268 582713262 /nfs/dbraw/zinc/71/32/62/582713262.db2.gz IQFLWSMNHAKHQR-SSDOTTSWSA-N -1 1 262.273 -0.220 20 0 CBADMM C[C@@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824858268 582713265 /nfs/dbraw/zinc/71/32/65/582713265.db2.gz 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C[C@@H](C(=O)NCC(=O)[O-])N1CCC(c2nc[nH]n2)CC1 ZINC000826001165 582754283 /nfs/dbraw/zinc/75/42/83/582754283.db2.gz SWRLKBDZIPLKKM-QMMMGPOBSA-N -1 1 281.316 -0.427 20 0 CBADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](CC(N)=O)C1 ZINC000826000127 582754414 /nfs/dbraw/zinc/75/44/14/582754414.db2.gz MWRNPZBGKUCALQ-RKDXNWHRSA-N -1 1 271.317 -0.837 20 0 CBADMM C[C@@H]1CN(C[C@H](O)COCCO)CCN1C(=O)[O-] ZINC000826050348 582756903 /nfs/dbraw/zinc/75/69/03/582756903.db2.gz WDOKBLDESUWCIW-ZJUUUORDSA-N -1 1 262.306 -0.960 20 0 CBADMM CNC(=O)[C@@H]1CCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000826060457 582757639 /nfs/dbraw/zinc/75/76/39/582757639.db2.gz MVZCEEXFBGAKMR-HTQZYQBOSA-N -1 1 288.315 -0.017 20 0 CBADMM CNC(=O)[C@@H]1CCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000826060457 582757641 /nfs/dbraw/zinc/75/76/41/582757641.db2.gz MVZCEEXFBGAKMR-HTQZYQBOSA-N -1 1 288.315 -0.017 20 0 CBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCc1nc[nH]n1 ZINC000826110727 582759688 /nfs/dbraw/zinc/75/96/88/582759688.db2.gz 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AKMSIONKDKKTIG-UHFFFAOYSA-N -1 1 273.256 -0.991 20 0 CBADMM NC(=O)NCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000822880563 582651057 /nfs/dbraw/zinc/65/10/57/582651057.db2.gz SCTCKIYHGJGEQJ-UHFFFAOYSA-N -1 1 299.298 -0.110 20 0 CBADMM NC(=O)NCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000822880563 582651059 /nfs/dbraw/zinc/65/10/59/582651059.db2.gz SCTCKIYHGJGEQJ-UHFFFAOYSA-N -1 1 299.298 -0.110 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000822902930 582652703 /nfs/dbraw/zinc/65/27/03/582652703.db2.gz FKPFZZJBIRTHMC-ZCFIWIBFSA-N -1 1 299.298 -0.186 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H]2CCC[C@@H]21 ZINC000823122418 582659330 /nfs/dbraw/zinc/65/93/30/582659330.db2.gz AMNWDELENOYRKW-YUMQZZPRSA-N -1 1 274.288 -0.531 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC1CC1 ZINC000823126354 582659745 /nfs/dbraw/zinc/65/97/45/582659745.db2.gz IWVDUVYAIWUVTP-UHFFFAOYSA-N -1 1 262.277 -0.626 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOC1CCC1 ZINC000823131897 582660101 /nfs/dbraw/zinc/66/01/01/582660101.db2.gz PPGGUOUAXZDWLH-UHFFFAOYSA-N -1 1 292.303 -0.857 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccn1 ZINC000823136431 582660141 /nfs/dbraw/zinc/66/01/41/582660141.db2.gz ZWAAIRJNSLVSNN-UHFFFAOYSA-N -1 1 271.244 -0.508 20 0 CBADMM O=C(Cn1cnc(-c2nn[nH]n2)n1)[N-]O[C@H]1CCCCO1 ZINC000823131954 582660226 /nfs/dbraw/zinc/66/02/26/582660226.db2.gz SAICGWXKUNOLDE-QMMMGPOBSA-N -1 1 294.275 -0.967 20 0 CBADMM O=C(O[C@H]1CCCNC1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823391832 582668199 /nfs/dbraw/zinc/66/81/99/582668199.db2.gz GTUCSSYFYOLXSI-VIFPVBQESA-N -1 1 288.267 -0.303 20 0 CBADMM O=C(O[C@H]1CCCNC1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823391832 582668202 /nfs/dbraw/zinc/66/82/02/582668202.db2.gz GTUCSSYFYOLXSI-VIFPVBQESA-N -1 1 288.267 -0.303 20 0 CBADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](CO)C1 ZINC000823483814 582670585 /nfs/dbraw/zinc/67/05/85/582670585.db2.gz OHMMAPNZMSOISQ-SSDOTTSWSA-N -1 1 295.324 -0.239 20 0 CBADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](CO)C1 ZINC000823483814 582670589 /nfs/dbraw/zinc/67/05/89/582670589.db2.gz OHMMAPNZMSOISQ-SSDOTTSWSA-N -1 1 295.324 -0.239 20 0 CBADMM O=C(O[C@H]1CNC(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823518878 582671879 /nfs/dbraw/zinc/67/18/79/582671879.db2.gz ATLFWYBANSDBOW-RXMQYKEDSA-N -1 1 279.281 -0.027 20 0 CBADMM O=C(O[C@H]1CNC(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823518878 582671880 /nfs/dbraw/zinc/67/18/80/582671880.db2.gz ATLFWYBANSDBOW-RXMQYKEDSA-N -1 1 279.281 -0.027 20 0 CBADMM O=S(=O)(NCCCF)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572369 582674342 /nfs/dbraw/zinc/67/43/42/582674342.db2.gz HDWCJOQMDCVKFK-UHFFFAOYSA-N -1 1 286.292 -0.100 20 0 CBADMM O=S(=O)(NCCCF)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572369 582674344 /nfs/dbraw/zinc/67/43/44/582674344.db2.gz HDWCJOQMDCVKFK-UHFFFAOYSA-N -1 1 286.292 -0.100 20 0 CBADMM OCC[C@]1(CNc2nccnc2-c2nnn[n-]2)CCOC1 ZINC000823718022 582678032 /nfs/dbraw/zinc/67/80/32/582678032.db2.gz PGRZWEVRSBPUNJ-GFCCVEGCSA-N -1 1 291.315 -0.142 20 0 CBADMM OCC[C@]1(CNc2nccnc2-c2nn[n-]n2)CCOC1 ZINC000823718022 582678033 /nfs/dbraw/zinc/67/80/33/582678033.db2.gz PGRZWEVRSBPUNJ-GFCCVEGCSA-N -1 1 291.315 -0.142 20 0 CBADMM OCCOCCNc1cccc(-c2nnn[n-]2)n1 ZINC000823722412 582678289 /nfs/dbraw/zinc/67/82/89/582678289.db2.gz PDBUWXDMIQSPDX-UHFFFAOYSA-N -1 1 250.262 -0.318 20 0 CBADMM OCCOCCNc1cccc(-c2nn[n-]n2)n1 ZINC000823722412 582678291 /nfs/dbraw/zinc/67/82/91/582678291.db2.gz PDBUWXDMIQSPDX-UHFFFAOYSA-N -1 1 250.262 -0.318 20 0 CBADMM CC(C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC000824184757 582689742 /nfs/dbraw/zinc/68/97/42/582689742.db2.gz KRHCZUZCCNAVFF-UHFFFAOYSA-N -1 1 290.331 -0.135 20 0 CBADMM CC(C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC000824184757 582689744 /nfs/dbraw/zinc/68/97/44/582689744.db2.gz KRHCZUZCCNAVFF-UHFFFAOYSA-N -1 1 290.331 -0.135 20 0 CBADMM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(N)=O ZINC000824200726 582689953 /nfs/dbraw/zinc/68/99/53/582689953.db2.gz SYRPDAGAZRYRSZ-QMMMGPOBSA-N -1 1 262.277 -0.422 20 0 CBADMM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(N)=O ZINC000824200726 582689957 /nfs/dbraw/zinc/68/99/57/582689957.db2.gz SYRPDAGAZRYRSZ-QMMMGPOBSA-N -1 1 262.277 -0.422 20 0 CBADMM CC(C)COC[C@H](O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824270300 582691660 /nfs/dbraw/zinc/69/16/60/582691660.db2.gz ATAJPRLAHYBVAR-MRVPVSSYSA-N -1 1 267.293 -0.508 20 0 CBADMM CC(C)NC(=O)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824300051 582692740 /nfs/dbraw/zinc/69/27/40/582692740.db2.gz AUALMFCFSHEYGN-UHFFFAOYSA-N -1 1 276.304 -0.017 20 0 CBADMM CC(C)NC(=O)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824300051 582692741 /nfs/dbraw/zinc/69/27/41/582692741.db2.gz AUALMFCFSHEYGN-UHFFFAOYSA-N -1 1 276.304 -0.017 20 0 CBADMM C[C@H](CO)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824441128 582697283 /nfs/dbraw/zinc/69/72/83/582697283.db2.gz OAKBGJGKBXJHBW-ZCFIWIBFSA-N -1 1 280.292 -0.555 20 0 CBADMM C[C@H](CO)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824441128 582697286 /nfs/dbraw/zinc/69/72/86/582697286.db2.gz OAKBGJGKBXJHBW-ZCFIWIBFSA-N -1 1 280.292 -0.555 20 0 CBADMM C[C@@H](CC(=O)N1CCO[C@H](c2nn[nH]n2)C1)NC(=O)[O-] ZINC000824600487 582702550 /nfs/dbraw/zinc/70/25/50/582702550.db2.gz YOKBXWXQZIOKHP-BQBZGAKWSA-N -1 1 284.276 -0.854 20 0 CBADMM C[C@H](CC(=O)NC[C@@H]1CN(C)CCN1C)NC(=O)[O-] ZINC000824633792 582703518 /nfs/dbraw/zinc/70/35/18/582703518.db2.gz BDMZCROYXNCQCZ-NXEZZACHSA-N -1 1 272.349 -0.605 20 0 CBADMM C[C@H](CCNC(=O)CCc1nc[nH]n1)NC(=O)[O-] ZINC000824787397 582709793 /nfs/dbraw/zinc/70/97/93/582709793.db2.gz XAEYOABDCQQNKD-SSDOTTSWSA-N -1 1 255.278 -0.100 20 0 CBADMM C[C@H](CN(C)C(=O)[O-])C(=O)NCCc1nc[nH]n1 ZINC000824861200 582713343 /nfs/dbraw/zinc/71/33/43/582713343.db2.gz BQAPCFXZVIJHAW-SSDOTTSWSA-N -1 1 255.278 -0.291 20 0 CBADMM C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824908122 582715146 /nfs/dbraw/zinc/71/51/46/582715146.db2.gz MKDSYXSVFSHMCG-SFYZADRCSA-N -1 1 288.315 -0.253 20 0 CBADMM C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824908122 582715148 /nfs/dbraw/zinc/71/51/48/582715148.db2.gz MKDSYXSVFSHMCG-SFYZADRCSA-N -1 1 288.315 -0.253 20 0 CBADMM C[C@H](CNC(=O)C1(NC(=O)[O-])CC1)N1CCN(C)CC1 ZINC000824914273 582715295 /nfs/dbraw/zinc/71/52/95/582715295.db2.gz CGTZSGYWIRFHCF-SNVBAGLBSA-N -1 1 284.360 -0.461 20 0 CBADMM C[C@H](CN1CCN(C)CC1)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000824907137 582715300 /nfs/dbraw/zinc/71/53/00/582715300.db2.gz IRPMXKZUCPENKL-LLVKDONJSA-N -1 1 298.387 -0.262 20 0 CBADMM C[C@@H](CNC(=O)CC1CN(C(=O)[O-])C1)N1CCN(C)CC1 ZINC000824922503 582715852 /nfs/dbraw/zinc/71/58/52/582715852.db2.gz PGTYQDQMYWLDSC-NSHDSACASA-N -1 1 298.387 -0.262 20 0 CBADMM C[C@H]1CO[C@H](CO)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000825005938 582719303 /nfs/dbraw/zinc/71/93/03/582719303.db2.gz FEMXIXOXXGAVSI-IUCAKERBSA-N -1 1 276.300 -0.152 20 0 CBADMM C[C@H]1CO[C@H](CO)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000825005938 582719305 /nfs/dbraw/zinc/71/93/05/582719305.db2.gz FEMXIXOXXGAVSI-IUCAKERBSA-N -1 1 276.300 -0.152 20 0 CBADMM C[C@H]1CO[C@H](CO)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825007599 582719424 /nfs/dbraw/zinc/71/94/24/582719424.db2.gz ZSMZGTBXMNZMMR-YUMQZZPRSA-N -1 1 277.288 -0.757 20 0 CBADMM C[C@H]1CO[C@H](CO)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825007599 582719426 /nfs/dbraw/zinc/71/94/26/582719426.db2.gz ZSMZGTBXMNZMMR-YUMQZZPRSA-N -1 1 277.288 -0.757 20 0 CBADMM C[C@H]1OCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825020129 582720712 /nfs/dbraw/zinc/72/07/12/582720712.db2.gz IQACIHMIZQKAAD-HTRCEHHLSA-N -1 1 292.303 -0.101 20 0 CBADMM C[C@H]1OCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825020129 582720714 /nfs/dbraw/zinc/72/07/14/582720714.db2.gz IQACIHMIZQKAAD-HTRCEHHLSA-N -1 1 292.303 -0.101 20 0 CBADMM C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])c1nnc[nH]1 ZINC000825085563 582723021 /nfs/dbraw/zinc/72/30/21/582723021.db2.gz YWQVWRCCWOEPHD-RRKCRQDMSA-N -1 1 269.261 -0.905 20 0 CBADMM C[C@H](NC(=O)COCCNC(=O)[O-])c1nnc[nH]1 ZINC000825126597 582725884 /nfs/dbraw/zinc/72/58/84/582725884.db2.gz GRUAFQYABVCXSB-LURJTMIESA-N -1 1 257.250 -0.734 20 0 CBADMM C[C@H](NC(=O)[O-])C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000825178452 582728081 /nfs/dbraw/zinc/72/80/81/582728081.db2.gz STVHEXSFQCVEKH-WDEREUQCSA-N -1 1 285.344 -0.177 20 0 CBADMM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC000825209957 582729117 /nfs/dbraw/zinc/72/91/17/582729117.db2.gz DITLLOZDKQMIOB-VXNVDRBHSA-N -1 1 261.289 -0.136 20 0 CBADMM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC000825209957 582729120 /nfs/dbraw/zinc/72/91/20/582729120.db2.gz DITLLOZDKQMIOB-VXNVDRBHSA-N -1 1 261.289 -0.136 20 0 CBADMM CC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC000825220964 582729373 /nfs/dbraw/zinc/72/93/73/582729373.db2.gz XORRYDXSSSMAIX-SFYZADRCSA-N -1 1 261.289 -0.136 20 0 CBADMM CC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC000825220964 582729374 /nfs/dbraw/zinc/72/93/74/582729374.db2.gz XORRYDXSSSMAIX-SFYZADRCSA-N -1 1 261.289 -0.136 20 0 CBADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCNC2=O)C1 ZINC000825253037 582729784 /nfs/dbraw/zinc/72/97/84/582729784.db2.gz IABBBYPVNJQFLJ-NXEZZACHSA-N -1 1 298.343 -0.094 20 0 CBADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCNC2=O)C1 ZINC000825253040 582730044 /nfs/dbraw/zinc/73/00/44/582730044.db2.gz IABBBYPVNJQFLJ-ZJUUUORDSA-N -1 1 298.343 -0.094 20 0 CBADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCNC2=O)C1 ZINC000825253038 582730104 /nfs/dbraw/zinc/73/01/04/582730104.db2.gz IABBBYPVNJQFLJ-UWVGGRQHSA-N -1 1 298.343 -0.094 20 0 CBADMM CCCNC(=O)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000825326884 582732402 /nfs/dbraw/zinc/73/24/02/582732402.db2.gz HIXLNHRSTHOKFZ-UHFFFAOYSA-N -1 1 276.304 -0.015 20 0 CBADMM CCCNC(=O)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825326884 582732407 /nfs/dbraw/zinc/73/24/07/582732407.db2.gz HIXLNHRSTHOKFZ-UHFFFAOYSA-N -1 1 276.304 -0.015 20 0 CBADMM C[C@H](O)CN1CCN(C(=O)C[C@H](C)NC(=O)[O-])C[C@H]1C ZINC000825528771 582739754 /nfs/dbraw/zinc/73/97/54/582739754.db2.gz SMVFCTGEYXVYDZ-AXFHLTTASA-N -1 1 287.360 -0.054 20 0 CBADMM CCOC(=O)c1cnn(CCOC)c1-c1nn[n-]n1 ZINC000825570089 582740730 /nfs/dbraw/zinc/74/07/30/582740730.db2.gz FIQIKZYDCNNOEA-UHFFFAOYSA-N -1 1 266.261 -0.114 20 0 CBADMM CCOCCOC1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825599975 582741761 /nfs/dbraw/zinc/74/17/61/582741761.db2.gz VGGUTBLRCWGKID-UHFFFAOYSA-N -1 1 291.315 -0.102 20 0 CBADMM CCOCCOC1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825599975 582741763 /nfs/dbraw/zinc/74/17/63/582741763.db2.gz VGGUTBLRCWGKID-UHFFFAOYSA-N -1 1 291.315 -0.102 20 0 CBADMM C[C@]1(C(=O)NCc2c[nH]nn2)CCN(C(=O)[O-])C1 ZINC000825673048 582743793 /nfs/dbraw/zinc/74/37/93/582743793.db2.gz LVEDSUKJUZRYNG-JTQLQIEISA-N -1 1 253.262 -0.189 20 0 CBADMM CC(=O)N[C@@H](C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000825853666 582748758 /nfs/dbraw/zinc/74/87/58/582748758.db2.gz DXYBWIRWUFTBAI-UWVGGRQHSA-N -1 1 285.344 -0.482 20 0 CBADMM CN(CC(C)(CO)CO)c1ccc(-c2nnn[n-]2)nn1 ZINC000825901653 582750412 /nfs/dbraw/zinc/75/04/12/582750412.db2.gz JGHMIHRHRCTWJZ-UHFFFAOYSA-N -1 1 279.304 -0.916 20 0 CBADMM CN(CC(C)(CO)CO)c1ccc(-c2nn[n-]n2)nn1 ZINC000825901653 582750414 /nfs/dbraw/zinc/75/04/14/582750414.db2.gz JGHMIHRHRCTWJZ-UHFFFAOYSA-N -1 1 279.304 -0.916 20 0 CBADMM C[C@@H]1CCCN(CCNS(C)(=O)=O)[C@@H]1CNC(=O)[O-] ZINC000825924602 582750605 /nfs/dbraw/zinc/75/06/05/582750605.db2.gz JIOYYNVNURSHOE-NXEZZACHSA-N -1 1 293.389 -0.096 20 0 CBADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(OCCCO)CC1 ZINC000826001239 582754243 /nfs/dbraw/zinc/75/42/43/582754243.db2.gz UKFLTALZYFAULK-JTQLQIEISA-N -1 1 288.344 -0.561 20 0 CBADMM CN1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CC1=O ZINC000826016718 582755070 /nfs/dbraw/zinc/75/50/70/582755070.db2.gz FMJSUBPQRLANPM-ZETCQYMHSA-N -1 1 259.273 -0.096 20 0 CBADMM CN1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CC1=O ZINC000826016718 582755071 /nfs/dbraw/zinc/75/50/71/582755071.db2.gz FMJSUBPQRLANPM-ZETCQYMHSA-N -1 1 259.273 -0.096 20 0 CBADMM CN1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1=O ZINC000826029216 582755736 /nfs/dbraw/zinc/75/57/36/582755736.db2.gz QRWQQKGYXURUGD-ZETCQYMHSA-N -1 1 260.261 -0.701 20 0 CBADMM CN1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1=O ZINC000826029216 582755741 /nfs/dbraw/zinc/75/57/41/582755741.db2.gz QRWQQKGYXURUGD-ZETCQYMHSA-N -1 1 260.261 -0.701 20 0 CBADMM CNC(=O)[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826060272 582757534 /nfs/dbraw/zinc/75/75/34/582757534.db2.gz JPIHUWDDOGGXRV-SNVBAGLBSA-N -1 1 292.299 -0.594 20 0 CBADMM CNC(=O)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000826060272 582757536 /nfs/dbraw/zinc/75/75/36/582757536.db2.gz JPIHUWDDOGGXRV-SNVBAGLBSA-N -1 1 292.299 -0.594 20 0 CBADMM CNC(=O)[C@@H]1CCC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000826060459 582757707 /nfs/dbraw/zinc/75/77/07/582757707.db2.gz MVZCEEXFBGAKMR-SFYZADRCSA-N -1 1 288.315 -0.017 20 0 CBADMM CNC(=O)[C@@H]1CCC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000826060459 582757708 /nfs/dbraw/zinc/75/77/08/582757708.db2.gz MVZCEEXFBGAKMR-SFYZADRCSA-N -1 1 288.315 -0.017 20 0 CBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1c[nH]nn1 ZINC000826110787 582759593 /nfs/dbraw/zinc/75/95/93/582759593.db2.gz VGLITEWKISKNPA-POYBYMJQSA-N -1 1 283.288 -0.076 20 0 CBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1c[nH]nn1 ZINC000826110789 582759608 /nfs/dbraw/zinc/75/96/08/582759608.db2.gz VGLITEWKISKNPA-XPUUQOCRSA-N -1 1 283.288 -0.076 20 0 CBADMM COC(=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826133445 582760554 /nfs/dbraw/zinc/76/05/54/582760554.db2.gz MBVILVYEMYHWFM-ZETCQYMHSA-N -1 1 275.272 -0.344 20 0 CBADMM COC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826133445 582760556 /nfs/dbraw/zinc/76/05/56/582760556.db2.gz MBVILVYEMYHWFM-ZETCQYMHSA-N -1 1 275.272 -0.344 20 0 CBADMM COC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)OC ZINC000826149138 582761913 /nfs/dbraw/zinc/76/19/13/582761913.db2.gz AGVVVRYZXBRGRH-ZETCQYMHSA-N -1 1 265.277 -0.270 20 0 CBADMM COC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)OC ZINC000826149138 582761914 /nfs/dbraw/zinc/76/19/14/582761914.db2.gz AGVVVRYZXBRGRH-ZETCQYMHSA-N -1 1 265.277 -0.270 20 0 CBADMM COC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)OC ZINC000826150226 582762415 /nfs/dbraw/zinc/76/24/15/582762415.db2.gz ZMJXLDQSERSKET-SECBINFHSA-N -1 1 292.299 -0.347 20 0 CBADMM COC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)OC ZINC000826150226 582762419 /nfs/dbraw/zinc/76/24/19/582762419.db2.gz ZMJXLDQSERSKET-SECBINFHSA-N -1 1 292.299 -0.347 20 0 CBADMM COCCCCn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826155810 582762991 /nfs/dbraw/zinc/76/29/91/582762991.db2.gz CWEHYBUUKDLKBN-UHFFFAOYSA-N -1 1 280.288 -0.846 20 0 CBADMM COCCCOCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826156440 582763759 /nfs/dbraw/zinc/76/37/59/582763759.db2.gz CXORYPOEHOUOLU-UHFFFAOYSA-N -1 1 281.276 -0.661 20 0 CBADMM CS[C@@H](C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826225885 582764936 /nfs/dbraw/zinc/76/49/36/582764936.db2.gz MXYJWWXVXKRBDB-LURJTMIESA-N -1 1 282.333 -0.674 20 0 CBADMM Cc1onc(CC(=O)N2CC[C@](C)(O)C2)c1-c1nnn[n-]1 ZINC000826343683 582767103 /nfs/dbraw/zinc/76/71/03/582767103.db2.gz JVBPBWYMTRARSM-LBPRGKRZSA-N -1 1 292.299 -0.311 20 0 CBADMM Cc1onc(CC(=O)N2CC[C@](C)(O)C2)c1-c1nn[n-]n1 ZINC000826343683 582767104 /nfs/dbraw/zinc/76/71/04/582767104.db2.gz JVBPBWYMTRARSM-LBPRGKRZSA-N -1 1 292.299 -0.311 20 0 CBADMM Cc1onc(CC(=O)N[C@@H](CO)C2CC2)c1-c1nnn[n-]1 ZINC000826345105 582767413 /nfs/dbraw/zinc/76/74/13/582767413.db2.gz BROPEKRTXGEVAJ-VIFPVBQESA-N -1 1 292.299 -0.407 20 0 CBADMM Cc1onc(CC(=O)N[C@@H](CO)C2CC2)c1-c1nn[n-]n1 ZINC000826345105 582767416 /nfs/dbraw/zinc/76/74/16/582767416.db2.gz BROPEKRTXGEVAJ-VIFPVBQESA-N -1 1 292.299 -0.407 20 0 CBADMM Cc1onc(CC(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826344358 582767457 /nfs/dbraw/zinc/76/74/57/582767457.db2.gz FPCJMHTXGDREFK-UHFFFAOYSA-N -1 1 278.272 -0.436 20 0 CBADMM Cc1onc(CC(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826344358 582767458 /nfs/dbraw/zinc/76/74/58/582767458.db2.gz FPCJMHTXGDREFK-UHFFFAOYSA-N -1 1 278.272 -0.436 20 0 CBADMM Cc1onc(CC(=O)NC(C)(C)CCO)c1-c1nnn[n-]1 ZINC000826345571 582767622 /nfs/dbraw/zinc/76/76/22/582767622.db2.gz NYWLZDGQAFLABF-UHFFFAOYSA-N -1 1 294.315 -0.017 20 0 CBADMM Cc1onc(CC(=O)NC(C)(C)CCO)c1-c1nn[n-]n1 ZINC000826345571 582767624 /nfs/dbraw/zinc/76/76/24/582767624.db2.gz NYWLZDGQAFLABF-UHFFFAOYSA-N -1 1 294.315 -0.017 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOC(C)(C)C)c1=O ZINC000826356529 582768133 /nfs/dbraw/zinc/76/81/33/582768133.db2.gz VEEXPJLMVGMZDD-UHFFFAOYSA-N -1 1 294.315 -0.458 20 0 CBADMM Cn1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)n1 ZINC000826363512 582768803 /nfs/dbraw/zinc/76/88/03/582768803.db2.gz PYBGAAJUAXHBFE-UHFFFAOYSA-N -1 1 257.257 -0.190 20 0 CBADMM Cn1cnc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000826364779 582769065 /nfs/dbraw/zinc/76/90/65/582769065.db2.gz KSEVWGLJBLSSBC-UHFFFAOYSA-N -1 1 290.312 -0.013 20 0 CBADMM Cn1cnc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000826364779 582769069 /nfs/dbraw/zinc/76/90/69/582769069.db2.gz KSEVWGLJBLSSBC-UHFFFAOYSA-N -1 1 290.312 -0.013 20 0 CBADMM Cn1[n-]c(COc2ccccc2-c2nn[nH]n2)nc1=O ZINC000826365832 582769409 /nfs/dbraw/zinc/76/94/09/582769409.db2.gz GDDIRLVLNQNPDN-UHFFFAOYSA-N -1 1 273.256 -0.133 20 0 CBADMM NC(=O)C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000826389191 582770295 /nfs/dbraw/zinc/77/02/95/582770295.db2.gz RSWXWTIUZICXPJ-UHFFFAOYSA-N -1 1 288.267 -0.224 20 0 CBADMM NC(=O)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826390848 582770663 /nfs/dbraw/zinc/77/06/63/582770663.db2.gz OOIMYIHVIMUPQW-UHFFFAOYSA-N -1 1 262.229 -0.614 20 0 CBADMM NC(=O)NC(=O)CCCn1ccnc1-c1nnn[n-]1 ZINC000826392305 582771152 /nfs/dbraw/zinc/77/11/52/582771152.db2.gz UBSCHYJCXXREON-UHFFFAOYSA-N -1 1 264.249 -0.962 20 0 CBADMM NC(=O)NC(=O)CCCn1ccnc1-c1nn[n-]n1 ZINC000826392305 582771155 /nfs/dbraw/zinc/77/11/55/582771155.db2.gz UBSCHYJCXXREON-UHFFFAOYSA-N -1 1 264.249 -0.962 20 0 CBADMM NC(=O)c1cncc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000826393714 582771859 /nfs/dbraw/zinc/77/18/59/582771859.db2.gz GEAVJYMMOCBGPP-UHFFFAOYSA-N -1 1 284.239 -0.057 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(F)n1 ZINC000826395859 582772200 /nfs/dbraw/zinc/77/22/00/582772200.db2.gz VQKSPBDIFMOMLI-UHFFFAOYSA-N -1 1 274.219 -0.132 20 0 CBADMM Nc1nccnc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826397128 582772489 /nfs/dbraw/zinc/77/24/89/582772489.db2.gz VEVFTCZIWWNFOC-UHFFFAOYSA-N -1 1 298.266 -0.009 20 0 CBADMM Nc1nccnc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826397128 582772490 /nfs/dbraw/zinc/77/24/90/582772490.db2.gz VEVFTCZIWWNFOC-UHFFFAOYSA-N -1 1 298.266 -0.009 20 0 CBADMM O=C(Cn1ccnc1-c1nnn[n-]1)NC[C@@H]1CCCO1 ZINC000826424984 582772662 /nfs/dbraw/zinc/77/26/62/582772662.db2.gz LGOUNJASLRGYEY-QMMMGPOBSA-N -1 1 277.288 -0.642 20 0 CBADMM O=C(Cn1ccnc1-c1nn[n-]n1)NC[C@@H]1CCCO1 ZINC000826424984 582772665 /nfs/dbraw/zinc/77/26/65/582772665.db2.gz LGOUNJASLRGYEY-QMMMGPOBSA-N -1 1 277.288 -0.642 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(O)c1 ZINC000826425753 582772891 /nfs/dbraw/zinc/77/28/91/582772891.db2.gz RMTOBZNXZNMOSQ-UHFFFAOYSA-N -1 1 286.255 -0.198 20 0 CBADMM O=C(N[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431617 582773375 /nfs/dbraw/zinc/77/33/75/582773375.db2.gz GMAPVROYGNSQFN-QMMMGPOBSA-N -1 1 260.257 -0.220 20 0 CBADMM O=C(N[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431617 582773381 /nfs/dbraw/zinc/77/33/81/582773381.db2.gz GMAPVROYGNSQFN-QMMMGPOBSA-N -1 1 260.257 -0.220 20 0 CBADMM O=C1NC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCN12 ZINC000826482801 582777084 /nfs/dbraw/zinc/77/70/84/582777084.db2.gz QRRWQZFUFNGGPF-MRVPVSSYSA-N -1 1 289.299 -0.331 20 0 CBADMM O=C1NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCN12 ZINC000826482801 582777087 /nfs/dbraw/zinc/77/70/87/582777087.db2.gz QRRWQZFUFNGGPF-MRVPVSSYSA-N -1 1 289.299 -0.331 20 0 CBADMM O[C@]1(CNc2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC000826506062 582777360 /nfs/dbraw/zinc/77/73/60/582777360.db2.gz LWAOTOKGYGPDAC-NSHDSACASA-N -1 1 262.273 -0.175 20 0 CBADMM O[C@]1(CNc2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC000826506062 582777361 /nfs/dbraw/zinc/77/73/61/582777361.db2.gz LWAOTOKGYGPDAC-NSHDSACASA-N -1 1 262.273 -0.175 20 0 CBADMM OC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826508638 582778194 /nfs/dbraw/zinc/77/81/94/582778194.db2.gz WRCBLLGGAJUVQO-VKHMYHEASA-N -1 1 276.709 -0.258 20 0 CBADMM OC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826508638 582778196 /nfs/dbraw/zinc/77/81/96/582778196.db2.gz WRCBLLGGAJUVQO-VKHMYHEASA-N -1 1 276.709 -0.258 20 0 CBADMM OC[C@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC000826509162 582778270 /nfs/dbraw/zinc/77/82/70/582778270.db2.gz NCNOSEVIJHUHLG-SNVBAGLBSA-N -1 1 276.300 -0.545 20 0 CBADMM OC[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC000826509162 582778273 /nfs/dbraw/zinc/77/82/73/582778273.db2.gz NCNOSEVIJHUHLG-SNVBAGLBSA-N -1 1 276.300 -0.545 20 0 CBADMM OCCO[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826509954 582778714 /nfs/dbraw/zinc/77/87/14/582778714.db2.gz RPUMYPSASAHENN-VIFPVBQESA-N -1 1 291.315 -0.366 20 0 CBADMM OCCO[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826509954 582778716 /nfs/dbraw/zinc/77/87/16/582778716.db2.gz RPUMYPSASAHENN-VIFPVBQESA-N -1 1 291.315 -0.366 20 0 CBADMM OCCO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826509953 582778978 /nfs/dbraw/zinc/77/89/78/582778978.db2.gz 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LZRSIOBVEUXRNE-UHFFFAOYSA-N -1 1 264.207 -0.129 20 0 CBADMM C[C@H]1[C@H](Nc2ccc3nc[nH]c3n2)C(=O)N1S(=O)(=O)[O-] ZINC001167857654 820123256 /nfs/dbraw/zinc/12/32/56/820123256.db2.gz GXISEPDVSKPEQK-XNCJUZBTSA-N -1 1 297.296 -0.228 20 0 CBADMM C[C@@H]1OCC[C@@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001168429596 820161889 /nfs/dbraw/zinc/16/18/89/820161889.db2.gz GGRYHWWJHRVMGQ-BQBZGAKWSA-N -1 1 253.258 -0.071 20 0 CBADMM CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCP(=O)([O-])[O-])CO1 ZINC001169317708 820227948 /nfs/dbraw/zinc/22/79/48/820227948.db2.gz CBFGPXOABJINHV-IUCAKERBSA-N -1 1 281.245 -0.136 20 0 CBADMM CC1(C)CC(=O)NCCN1C(=O)CCc1nn[n-]n1 ZINC001169459741 820246947 /nfs/dbraw/zinc/24/69/47/820246947.db2.gz IQJSVEKFZKMPSA-UHFFFAOYSA-N -1 1 266.305 -0.741 20 0 CBADMM Cc1cc(=O)n(-c2ccc(NC[C@H]3COCCN3)nn2)[n-]1 ZINC001170041369 820275251 /nfs/dbraw/zinc/27/52/51/820275251.db2.gz HSZHXNYCSZSEFR-JTQLQIEISA-N -1 1 290.327 -0.011 20 0 CBADMM O=C(Cc1ccnc(F)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001170383174 820291930 /nfs/dbraw/zinc/29/19/30/820291930.db2.gz LZLZNFMWIGOZOM-SECBINFHSA-N -1 1 292.274 -0.124 20 0 CBADMM CC[C@@](N)(CO)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001170862133 820331357 /nfs/dbraw/zinc/33/13/57/820331357.db2.gz GKOVBKZZHBONIW-NSHDSACASA-N -1 1 285.325 -0.412 20 0 CBADMM CCOC(=O)c1cc(NC(=O)Cc2nn[n-]n2)c[nH]1 ZINC001176837805 820461215 /nfs/dbraw/zinc/46/12/15/820461215.db2.gz HTUONSKWZOQKRF-UHFFFAOYSA-N -1 1 264.245 -0.114 20 0 CBADMM CCOC(=O)c1n[nH]cc1NC(=O)Cc1nn[n-]n1 ZINC001176837777 820461428 /nfs/dbraw/zinc/46/14/28/820461428.db2.gz GTOICMLBYIFBSN-UHFFFAOYSA-N -1 1 265.233 -0.719 20 0 CBADMM CSc1nccc(NC(=O)Cc2nn[n-]n2)n1 ZINC001176837690 820461529 /nfs/dbraw/zinc/46/15/29/820461529.db2.gz AQRHZDXTLBQRHD-UHFFFAOYSA-N -1 1 251.275 -0.107 20 0 CBADMM O=C(Cc1nn[n-]n1)Nc1n[nH]c(-c2ccncc2)n1 ZINC001176837849 820461800 /nfs/dbraw/zinc/46/18/00/820461800.db2.gz JZLZBAAUIKWTNZ-UHFFFAOYSA-N -1 1 271.244 -0.439 20 0 CBADMM Cn1cnnc1C1CCN(C(=O)Cc2nn[n-]n2)CC1 ZINC001176839661 820462082 /nfs/dbraw/zinc/46/20/82/820462082.db2.gz AUZDURZPWYTQEY-UHFFFAOYSA-N -1 1 276.304 -0.723 20 0 CBADMM CCOC(=O)c1ccncc1NC(=O)Cc1nn[n-]n1 ZINC001176838517 820462313 /nfs/dbraw/zinc/46/23/13/820462313.db2.gz YBQBXUSKUMVUQZ-UHFFFAOYSA-N -1 1 276.256 -0.047 20 0 CBADMM Cc1nnc2cc(NC(=O)Cc3nn[n-]n3)ccn12 ZINC001176837710 820462436 /nfs/dbraw/zinc/46/24/36/820462436.db2.gz CDAPJYPKZZGAQL-UHFFFAOYSA-N -1 1 258.245 -0.268 20 0 CBADMM O=C(Cc1nn[n-]n1)Nc1nc(Cl)nc2[nH]cnc21 ZINC001176837880 820462960 /nfs/dbraw/zinc/46/29/60/820462960.db2.gz LRSVVJYVWGIFRV-UHFFFAOYSA-N -1 1 279.651 -0.299 20 0 CBADMM COC(=O)c1ccc(OC)nc1NC(=O)Cc1nn[n-]n1 ZINC001176840165 820465712 /nfs/dbraw/zinc/46/57/12/820465712.db2.gz LWCOFDAANWPCND-UHFFFAOYSA-N -1 1 292.255 -0.429 20 0 CBADMM O=C(Cc1nn[n-]n1)NCCNC(=O)c1ccc(F)cc1 ZINC001176844492 820466742 /nfs/dbraw/zinc/46/67/42/820466742.db2.gz AQGYQGYSXIJQRT-UHFFFAOYSA-N -1 1 292.274 -0.573 20 0 CBADMM C[C@H](NC(=O)Cc1nn[n-]n1)[C@H](O)c1cccc(O)c1 ZINC001176844555 820467005 /nfs/dbraw/zinc/46/70/05/820467005.db2.gz BVVCQFXYSNVGPM-MADCSZMMSA-N -1 1 277.284 -0.314 20 0 CBADMM Nc1nc(=O)c2ccccc2n1C(=O)Cc1nn[n-]n1 ZINC001176844970 820467119 /nfs/dbraw/zinc/46/71/19/820467119.db2.gz LUOWUDAYZLJJLU-UHFFFAOYSA-N -1 1 271.240 -0.383 20 0 CBADMM COCCOc1ccc(CNC(=O)Cc2nn[n-]n2)cn1 ZINC001176844588 820467394 /nfs/dbraw/zinc/46/73/94/820467394.db2.gz CNYDYNRVFSJSTF-UHFFFAOYSA-N -1 1 292.299 -0.521 20 0 CBADMM O=C(Cc1nn[n-]n1)Nc1cccc(-n2nccn2)c1 ZINC001176845257 820467690 /nfs/dbraw/zinc/46/76/90/820467690.db2.gz QQEGKHXJNRCIEX-UHFFFAOYSA-N -1 1 270.256 -0.038 20 0 CBADMM O=C(Cc1nn[n-]n1)NCc1cc(OC2COC2)ccn1 ZINC001176844998 820468345 /nfs/dbraw/zinc/46/83/45/820468345.db2.gz IUXWSYKRNPXGDI-UHFFFAOYSA-N -1 1 290.283 -0.769 20 0 CBADMM O=C(Cc1nn[n-]n1)N[C@H]1CCCc2nccnc21 ZINC001176846909 820468872 /nfs/dbraw/zinc/46/88/72/820468872.db2.gz AAJFEBAITIVFFM-QMMMGPOBSA-N -1 1 259.273 -0.274 20 0 CBADMM O=C(Cc1nn[n-]n1)NC1(C(F)(F)F)CCOCC1 ZINC001176845574 820469274 /nfs/dbraw/zinc/46/92/74/820469274.db2.gz PQJHTSWHYMUGDD-UHFFFAOYSA-N -1 1 279.222 -0.030 20 0 CBADMM CN1Cc2cccc(NC(=O)Cc3nn[n-]n3)c2C1=O ZINC001176845333 820469367 /nfs/dbraw/zinc/46/93/67/820469367.db2.gz RWOYWPRZGVGRHZ-UHFFFAOYSA-N -1 1 272.268 -0.034 20 0 CBADMM O=C(CNC(=O)Cc1nn[n-]n1)NCc1ccc(F)cc1 ZINC001176847255 820469768 /nfs/dbraw/zinc/46/97/68/820469768.db2.gz NRJWULLETQZWRP-UHFFFAOYSA-N -1 1 292.274 -0.686 20 0 CBADMM O=C(Cc1nn[n-]n1)NCc1ccc(Cl)nn1 ZINC001176845486 820469800 /nfs/dbraw/zinc/46/98/00/820469800.db2.gz NTWMELGNLRBYIE-UHFFFAOYSA-N -1 1 253.653 -0.498 20 0 CBADMM CC[C@H](C)[C@H](NC(=O)Cc1nn[n-]n1)C(=O)N(C)C ZINC001176847003 820470156 /nfs/dbraw/zinc/47/01/56/820470156.db2.gz DJWOPVOHEWFCPB-XVKPBYJWSA-N -1 1 268.321 -0.639 20 0 CBADMM O=C(Cc1nn[n-]n1)NCc1nc2cc[nH]cc-2n1 ZINC001176847120 820470181 /nfs/dbraw/zinc/47/01/81/820470181.db2.gz IYCQLAYOOMDITP-UHFFFAOYSA-N -1 1 258.245 -0.670 20 0 CBADMM Cc1nnc(SCC(=O)NCc2nn[n-]n2)s1 ZINC001176925739 820479386 /nfs/dbraw/zinc/47/93/86/820479386.db2.gz GHXIRBQOCQPZFA-UHFFFAOYSA-N -1 1 271.331 -0.232 20 0 CBADMM CCOC(=O)c1nc[nH]c1NC(=O)Cn1nn[n-]c1=S ZINC001177736003 820533629 /nfs/dbraw/zinc/53/36/29/820533629.db2.gz UXLFOBSRLNPWEG-UHFFFAOYSA-N -1 1 297.300 -0.500 20 0 CBADMM O=C(Cn1nn[n-]c1=S)NCc1ccc2[nH]nnc2c1 ZINC001177743466 820536552 /nfs/dbraw/zinc/53/65/52/820536552.db2.gz LFRAAEGTTTYECP-UHFFFAOYSA-N -1 1 290.312 -0.451 20 0 CBADMM O=C(Cn1nn[n-]c1=S)NCc1ccc2nn[nH]c2c1 ZINC001177743466 820536558 /nfs/dbraw/zinc/53/65/58/820536558.db2.gz LFRAAEGTTTYECP-UHFFFAOYSA-N -1 1 290.312 -0.451 20 0 CBADMM COC[C@@H](NC(=O)c1c[nH]cc1C)c1nn[n-]n1 ZINC001177823672 820540334 /nfs/dbraw/zinc/54/03/34/820540334.db2.gz SPJRDDHAZZDAPD-MRVPVSSYSA-N -1 1 250.262 -0.046 20 0 CBADMM COC[C@H](NC(=O)C=Cc1cn(C)cn1)c1nn[n-]n1 ZINC001177827428 820541944 /nfs/dbraw/zinc/54/19/44/820541944.db2.gz GDDDXEHXENEOAA-TYRPZCRBSA-N -1 1 277.288 -0.550 20 0 CBADMM COC[C@H](NC(=O)CN1CCSC1=O)c1nn[n-]n1 ZINC001177826820 820542230 /nfs/dbraw/zinc/54/22/30/820542230.db2.gz BPQMVOMFZLGYOV-LURJTMIESA-N -1 1 286.317 -0.828 20 0 CBADMM COCC(C)=CC(=O)N[C@H](COC)c1nn[n-]n1 ZINC001177829518 820542337 /nfs/dbraw/zinc/54/23/37/820542337.db2.gz ZKGYTKXQHXKNPN-RXLGXGPVSA-N -1 1 255.278 -0.404 20 0 CBADMM COC/C(C)=C/C(=O)N[C@H](COC)c1nn[n-]n1 ZINC001177829518 820542343 /nfs/dbraw/zinc/54/23/43/820542343.db2.gz ZKGYTKXQHXKNPN-RXLGXGPVSA-N -1 1 255.278 -0.404 20 0 CBADMM COC[C@H](NC(=O)c1oc(C)nc1C)c1nn[n-]n1 ZINC001177829434 820542743 /nfs/dbraw/zinc/54/27/43/820542743.db2.gz YJOGAABBKDDXTD-ZETCQYMHSA-N -1 1 266.261 -0.078 20 0 CBADMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1cnncc1[O-] ZINC001177981814 820551800 /nfs/dbraw/zinc/55/18/00/820551800.db2.gz QBFLBWMMWPTTGM-IUCAKERBSA-N -1 1 267.285 -0.158 20 0 CBADMM O=C(c1cncc([O-])c1)N1CCC(O)(COCCO)CC1 ZINC001178194273 820569348 /nfs/dbraw/zinc/56/93/48/820569348.db2.gz RDJXXYGKYJSUTR-UHFFFAOYSA-N -1 1 296.323 -0.237 20 0 CBADMM C[C@](O)(CC(=O)NCc1nn[n-]n1)C(F)(F)F ZINC001179814690 820639810 /nfs/dbraw/zinc/63/98/10/820639810.db2.gz LFOICODYKNUPGC-LURJTMIESA-N -1 1 253.184 -0.481 20 0 CBADMM O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1nn[n-]n1 ZINC001180199093 820653316 /nfs/dbraw/zinc/65/33/16/820653316.db2.gz JYEVKTVVLBKCCX-UHFFFAOYSA-N -1 1 285.267 -0.293 20 0 CBADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)C1=NNC(=O)CC1 ZINC001180254802 820662047 /nfs/dbraw/zinc/66/20/47/820662047.db2.gz OFRASUJYCIPXDA-UHFFFAOYSA-N -1 1 280.200 -0.510 20 0 CBADMM CN1CC[C@H](C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)CC1=O ZINC001180634361 820703743 /nfs/dbraw/zinc/70/37/43/820703743.db2.gz ZHFGFRPNCGMABK-YFKPBYRVSA-N -1 1 281.272 -0.723 20 0 CBADMM CC(=O)N1CCC(CC(=O)NCc2nn[n-]n2)CC1 ZINC001180657236 820708013 /nfs/dbraw/zinc/70/80/13/820708013.db2.gz NURMURMKTSBEPM-UHFFFAOYSA-N -1 1 266.305 -0.536 20 0 CBADMM Cc1[n-][nH]c2ncnc(=NC(=O)[C@H]3CN(C)CCO3)c1-2 ZINC001180755691 820713391 /nfs/dbraw/zinc/71/33/91/820713391.db2.gz PUSOIRSRMKEMDC-MRVPVSSYSA-N -1 1 276.300 -0.696 20 0 CBADMM Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCNC(=O)C1CC1 ZINC001180848618 820729647 /nfs/dbraw/zinc/72/96/47/820729647.db2.gz BLBPAHHXTZALCE-UHFFFAOYSA-N -1 1 281.272 -0.675 20 0 CBADMM Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@@H]1CCOC1 ZINC001180918643 820741173 /nfs/dbraw/zinc/74/11/73/820741173.db2.gz HPUKJKSBRABGOS-YFKPBYRVSA-N -1 1 254.246 -0.165 20 0 CBADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)[C@@H]1COCCO1 ZINC001180995552 820744788 /nfs/dbraw/zinc/74/47/88/820744788.db2.gz PTQADKLWLUAYSA-BYPYZUCNSA-N -1 1 270.201 -0.360 20 0 CBADMM CN(C)c1nc(NC(=O)[C@@H]2COCCO2)c(N=O)c(=O)[n-]1 ZINC001180996537 820745619 /nfs/dbraw/zinc/74/56/19/820745619.db2.gz VWOGQVZPUONYBG-LURJTMIESA-N -1 1 297.271 0.000 20 0 CBADMM C[C@@H](C(=O)Nc1c(N)[nH]c(=O)[n-]c1=O)N1CCCC1=O ZINC001181288223 820771472 /nfs/dbraw/zinc/77/14/72/820771472.db2.gz BKPRDJHNQHFZFG-YFKPBYRVSA-N -1 1 281.272 -0.581 20 0 CBADMM C[C@@H](O)CC(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001181358729 820780880 /nfs/dbraw/zinc/78/08/80/820780880.db2.gz 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ZINC000821657928 582614586 /nfs/dbraw/zinc/61/45/86/582614586.db2.gz ZCCPQVSAFORSBA-YFKPBYRVSA-N -1 1 279.260 -0.515 20 0 CBADMM COC(=O)NCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821664887 582614625 /nfs/dbraw/zinc/61/46/25/582614625.db2.gz MTVBJQWEMNJGNS-UHFFFAOYSA-N -1 1 283.273 -0.382 20 0 CBADMM COC(=O)NCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821664887 582614629 /nfs/dbraw/zinc/61/46/29/582614629.db2.gz MTVBJQWEMNJGNS-UHFFFAOYSA-N -1 1 283.273 -0.382 20 0 CBADMM COC(=O)C[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000821657927 582614689 /nfs/dbraw/zinc/61/46/89/582614689.db2.gz ZCCPQVSAFORSBA-RXMQYKEDSA-N -1 1 279.260 -0.515 20 0 CBADMM COC[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821682805 582614996 /nfs/dbraw/zinc/61/49/96/582614996.db2.gz NYRFSKCQQGNYAD-ZCFIWIBFSA-N -1 1 280.292 -0.243 20 0 CBADMM COC[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821682805 582614998 /nfs/dbraw/zinc/61/49/98/582614998.db2.gz NYRFSKCQQGNYAD-ZCFIWIBFSA-N -1 1 280.292 -0.243 20 0 CBADMM COC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC000821682485 582615112 /nfs/dbraw/zinc/61/51/12/582615112.db2.gz GRCRBIGWJFBEMX-QMMMGPOBSA-N -1 1 294.319 -0.755 20 0 CBADMM COc1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC000821859139 582621851 /nfs/dbraw/zinc/62/18/51/582621851.db2.gz LOAFRCDGLAMVKV-UHFFFAOYSA-N -1 1 286.255 -0.263 20 0 CBADMM CS(=O)(=O)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821920431 582623247 /nfs/dbraw/zinc/62/32/47/582623247.db2.gz RTDGNNSKLMTLIB-UHFFFAOYSA-N -1 1 297.296 -0.445 20 0 CBADMM Cc1nc(N(C)C)nc(-n2cnc(-c3nn[n-]n3)n2)n1 ZINC000822449728 582635906 /nfs/dbraw/zinc/63/59/06/582635906.db2.gz MILKYEVBRROORF-UHFFFAOYSA-N -1 1 273.264 -0.993 20 0 CBADMM Cc1nonc1CNc1nccnc1-c1nnn[n-]1 ZINC000822530833 582638628 /nfs/dbraw/zinc/63/86/28/582638628.db2.gz PSJFSTCLUSUHCS-UHFFFAOYSA-N -1 1 259.233 -0.040 20 0 CBADMM Cc1nonc1CNc1nccnc1-c1nn[n-]n1 ZINC000822530833 582638630 /nfs/dbraw/zinc/63/86/30/582638630.db2.gz PSJFSTCLUSUHCS-UHFFFAOYSA-N -1 1 259.233 -0.040 20 0 CBADMM Cc1noc(Cn2cccc(-c3nn[n-]n3)c2=O)n1 ZINC000822527928 582638690 /nfs/dbraw/zinc/63/86/90/582638690.db2.gz KYBZKVOPZBQYPH-UHFFFAOYSA-N -1 1 259.229 -0.232 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(O)CCC2)n1 ZINC000822614030 582641772 /nfs/dbraw/zinc/64/17/72/582641772.db2.gz IKJYMPCXITYDPB-UHFFFAOYSA-N -1 1 292.303 -0.363 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(O)CCC2)n1 ZINC000822614030 582641774 /nfs/dbraw/zinc/64/17/74/582641774.db2.gz IKJYMPCXITYDPB-UHFFFAOYSA-N -1 1 292.303 -0.363 20 0 CBADMM Cn1[nH]cnc1=NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822714443 582644847 /nfs/dbraw/zinc/64/48/47/582644847.db2.gz NBYXCLVFJSLFRC-UHFFFAOYSA-N -1 1 271.244 -0.936 20 0 CBADMM Cn1[nH]cnc1=NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822714443 582644850 /nfs/dbraw/zinc/64/48/50/582644850.db2.gz NBYXCLVFJSLFRC-UHFFFAOYSA-N -1 1 271.244 -0.936 20 0 CBADMM NC(=O)C[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000822865245 582650816 /nfs/dbraw/zinc/65/08/16/582650816.db2.gz YRCHBZWFFWSJKN-MRVPVSSYSA-N -1 1 288.315 -0.252 20 0 CBADMM NC(=O)C[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000822865245 582650817 /nfs/dbraw/zinc/65/08/17/582650817.db2.gz YRCHBZWFFWSJKN-MRVPVSSYSA-N -1 1 288.315 -0.252 20 0 CBADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1nn[n-]n1 ZINC000823103933 582658901 /nfs/dbraw/zinc/65/89/01/582658901.db2.gz OWFDOGBRNXKCKH-UHFFFAOYSA-N -1 1 285.271 -0.761 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC=CCC1 ZINC000823127171 582659632 /nfs/dbraw/zinc/65/96/32/582659632.db2.gz VSCBJEZHBBDTAB-QMMMGPOBSA-N -1 1 274.288 -0.317 20 0 CBADMM O=C(O[C@@H]1CCCNC1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823391831 582668141 /nfs/dbraw/zinc/66/81/41/582668141.db2.gz GTUCSSYFYOLXSI-SECBINFHSA-N -1 1 288.267 -0.303 20 0 CBADMM O=C(O[C@@H]1CCCNC1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823391831 582668143 /nfs/dbraw/zinc/66/81/43/582668143.db2.gz GTUCSSYFYOLXSI-SECBINFHSA-N -1 1 288.267 -0.303 20 0 CBADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H](O)C[C@H](O)C1 ZINC000823488446 582670921 /nfs/dbraw/zinc/67/09/21/582670921.db2.gz MSVDJXBOVJZXKZ-KNVOCYPGSA-N -1 1 295.324 -0.504 20 0 CBADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H](O)C[C@H](O)C1 ZINC000823488446 582670923 /nfs/dbraw/zinc/67/09/23/582670923.db2.gz MSVDJXBOVJZXKZ-KNVOCYPGSA-N -1 1 295.324 -0.504 20 0 CBADMM O=C(O[C@@H]1CNC(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823518886 582671895 /nfs/dbraw/zinc/67/18/95/582671895.db2.gz ATLFWYBANSDBOW-YFKPBYRVSA-N -1 1 279.281 -0.027 20 0 CBADMM O=C(O[C@@H]1CNC(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823518886 582671898 /nfs/dbraw/zinc/67/18/98/582671898.db2.gz ATLFWYBANSDBOW-YFKPBYRVSA-N -1 1 279.281 -0.027 20 0 CBADMM OC[C@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000823715871 582677733 /nfs/dbraw/zinc/67/77/33/582677733.db2.gz XUAABHRNPFKCES-SSDOTTSWSA-N -1 1 287.283 -0.425 20 0 CBADMM OC[C@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000823715871 582677735 /nfs/dbraw/zinc/67/77/35/582677735.db2.gz XUAABHRNPFKCES-SSDOTTSWSA-N -1 1 287.283 -0.425 20 0 CBADMM OCCCN(CCO)c1cccc(-c2nnn[n-]2)n1 ZINC000823718458 582678036 /nfs/dbraw/zinc/67/80/36/582678036.db2.gz VBWRXODFXSKUPB-UHFFFAOYSA-N -1 1 264.289 -0.557 20 0 CBADMM OCCCN(CCO)c1cccc(-c2nn[n-]n2)n1 ZINC000823718458 582678037 /nfs/dbraw/zinc/67/80/37/582678037.db2.gz VBWRXODFXSKUPB-UHFFFAOYSA-N -1 1 264.289 -0.557 20 0 CBADMM CC(C)(C(N)=O)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823748966 582679834 /nfs/dbraw/zinc/67/98/34/582679834.db2.gz KAJXOOZRCPPYLL-NSHDSACASA-N -1 1 298.387 -0.132 20 0 CBADMM c1ncn(CC[NH2+]Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000823821726 582681029 /nfs/dbraw/zinc/68/10/29/582681029.db2.gz YLNXWSRGBHZWTR-UHFFFAOYSA-N -1 1 260.261 -0.159 20 0 CBADMM CC(C)(CNC(=O)[O-])NC(=O)CCc1nc[nH]n1 ZINC000823978456 582684089 /nfs/dbraw/zinc/68/40/89/582684089.db2.gz GKMAUZNFTAQHSE-UHFFFAOYSA-N -1 1 255.278 -0.100 20 0 CBADMM CC(C)(O)CN1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000824034294 582685795 /nfs/dbraw/zinc/68/57/95/582685795.db2.gz ASZAIUPQHMLYMO-UHFFFAOYSA-N -1 1 299.371 -0.099 20 0 CBADMM C[C@@H](C(N)=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824053209 582686442 /nfs/dbraw/zinc/68/64/42/582686442.db2.gz WEBZLDKSIZJNAM-YFKPBYRVSA-N -1 1 280.313 -0.126 20 0 CBADMM C[C@@H](C(N)=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824053209 582686444 /nfs/dbraw/zinc/68/64/44/582686444.db2.gz WEBZLDKSIZJNAM-YFKPBYRVSA-N -1 1 280.313 -0.126 20 0 CBADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCCc1nc[nH]n1 ZINC000824135358 582688161 /nfs/dbraw/zinc/68/81/61/582688161.db2.gz DYZVHDGCGVPBSM-QMMMGPOBSA-N -1 1 255.278 -0.244 20 0 CBADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC000824157792 582688965 /nfs/dbraw/zinc/68/89/65/582688965.db2.gz MPNBYMRCCOZXAO-UHFFFAOYSA-N -1 1 297.344 -0.108 20 0 CBADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC000824157792 582688967 /nfs/dbraw/zinc/68/89/67/582688967.db2.gz MPNBYMRCCOZXAO-UHFFFAOYSA-N -1 1 297.344 -0.108 20 0 CBADMM CC(C)C1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000824225638 582691099 /nfs/dbraw/zinc/69/10/99/582691099.db2.gz VCGOAQXYKDLMJS-UHFFFAOYSA-N -1 1 276.304 -0.427 20 0 CBADMM CCOC(=O)C(C)(C)O[N-]C(=O)C1=CCS(=O)(=O)C1 ZINC000824355070 582694802 /nfs/dbraw/zinc/69/48/02/582694802.db2.gz JJHRWXNLSNUHMS-UHFFFAOYSA-N -1 1 291.325 -0.269 20 0 CBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC000824433159 582696745 /nfs/dbraw/zinc/69/67/45/582696745.db2.gz CNMMVCRDWGYCIE-ZCFIWIBFSA-N -1 1 283.317 -0.498 20 0 CBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC000824433159 582696747 /nfs/dbraw/zinc/69/67/47/582696747.db2.gz CNMMVCRDWGYCIE-ZCFIWIBFSA-N -1 1 283.317 -0.498 20 0 CBADMM C[C@@H](CC(=O)NC[C@@H]1CN(C)CCN1C)NC(=O)[O-] ZINC000824633796 582703569 /nfs/dbraw/zinc/70/35/69/582703569.db2.gz BDMZCROYXNCQCZ-VHSXEESVSA-N -1 1 272.349 -0.605 20 0 CBADMM C[C@H](O)C(C)(C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824678122 582705467 /nfs/dbraw/zinc/70/54/67/582705467.db2.gz LBDXXEQUPLRUIH-LURJTMIESA-N -1 1 294.319 -0.119 20 0 CBADMM C[C@H](O)C(C)(C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824678122 582705469 /nfs/dbraw/zinc/70/54/69/582705469.db2.gz LBDXXEQUPLRUIH-LURJTMIESA-N -1 1 294.319 -0.119 20 0 CBADMM C[C@@H](O)C[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824697325 582705694 /nfs/dbraw/zinc/70/56/94/582705694.db2.gz BXTHIZXCFOZDCO-NKWVEPMBSA-N -1 1 294.319 -0.119 20 0 CBADMM C[C@@H](O)C[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824697325 582705696 /nfs/dbraw/zinc/70/56/96/582705696.db2.gz BXTHIZXCFOZDCO-NKWVEPMBSA-N -1 1 294.319 -0.119 20 0 CBADMM C[C@@H](O)C[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824697326 582705776 /nfs/dbraw/zinc/70/57/76/582705776.db2.gz BXTHIZXCFOZDCO-RNFRBKRXSA-N -1 1 294.319 -0.119 20 0 CBADMM C[C@@H](O)C[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824697326 582705780 /nfs/dbraw/zinc/70/57/80/582705780.db2.gz BXTHIZXCFOZDCO-RNFRBKRXSA-N -1 1 294.319 -0.119 20 0 CBADMM C[C@@H](O)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000824690744 582705869 /nfs/dbraw/zinc/70/58/69/582705869.db2.gz VHPYSRWPUUJHHP-HTQZYQBOSA-N -1 1 261.289 -0.136 20 0 CBADMM C[C@@H](O)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000824690744 582705870 /nfs/dbraw/zinc/70/58/70/582705870.db2.gz VHPYSRWPUUJHHP-HTQZYQBOSA-N -1 1 261.289 -0.136 20 0 CBADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C1(NC(=O)[O-])CC1 ZINC000824906023 582715279 /nfs/dbraw/zinc/71/52/79/582715279.db2.gz ANRMUJAUTANIIM-JTQLQIEISA-N -1 1 284.360 -0.461 20 0 CBADMM C[C@H](CNC(=O)CC1CN(C(=O)[O-])C1)N1CCN(C)CC1 ZINC000824922502 582715886 /nfs/dbraw/zinc/71/58/86/582715886.db2.gz PGTYQDQMYWLDSC-LLVKDONJSA-N -1 1 298.387 -0.262 20 0 CBADMM C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H]1F ZINC000824948327 582716125 /nfs/dbraw/zinc/71/61/25/582716125.db2.gz UCRZUCHGFMEFQP-YUMQZZPRSA-N -1 1 294.294 -0.335 20 0 CBADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC000825001127 582718866 /nfs/dbraw/zinc/71/88/66/582718866.db2.gz XPKPMMAYZBBWSU-MRVPVSSYSA-N -1 1 294.340 -0.115 20 0 CBADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCS1(=O)=O ZINC000825001127 582718867 /nfs/dbraw/zinc/71/88/67/582718867.db2.gz XPKPMMAYZBBWSU-MRVPVSSYSA-N -1 1 294.340 -0.115 20 0 CBADMM C[C@@H]1OCC[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825019938 582720849 /nfs/dbraw/zinc/72/08/49/582720849.db2.gz HLHOAPBTYLFGJH-NKWVEPMBSA-N -1 1 277.288 -0.036 20 0 CBADMM C[C@@H]1OCC[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825019938 582720851 /nfs/dbraw/zinc/72/08/51/582720851.db2.gz HLHOAPBTYLFGJH-NKWVEPMBSA-N -1 1 277.288 -0.036 20 0 CBADMM CC[C@@](C)(CCO)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000825044756 582721161 /nfs/dbraw/zinc/72/11/61/582721161.db2.gz TYNHOIGKTCGJHM-NSHDSACASA-N -1 1 294.319 -0.875 20 0 CBADMM C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])c1nnc[nH]1 ZINC000825085561 582723029 /nfs/dbraw/zinc/72/30/29/582723029.db2.gz YWQVWRCCWOEPHD-LYFYHCNISA-N -1 1 269.261 -0.905 20 0 CBADMM C[C@@H](NC(=O)[O-])C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000825178450 582728032 /nfs/dbraw/zinc/72/80/32/582728032.db2.gz STVHEXSFQCVEKH-MNOVXSKESA-N -1 1 285.344 -0.177 20 0 CBADMM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC000825209950 582729003 /nfs/dbraw/zinc/72/90/03/582729003.db2.gz 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893455981 /nfs/dbraw/zinc/45/59/81/893455981.db2.gz NJMPFQHGAAYINM-QMMMGPOBSA-N -1 1 277.288 -0.247 20 0 CBADMM O=C([C@@H](O)c1ccccc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001363204681 893458183 /nfs/dbraw/zinc/45/81/83/893458183.db2.gz QKQWIHZDZAAPET-MNOVXSKESA-N -1 1 289.295 -0.167 20 0 CBADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](O)C(C)(C)O)n1 ZINC001363209778 893461545 /nfs/dbraw/zinc/46/15/45/893461545.db2.gz CSNNFJHELXHKHM-SSDOTTSWSA-N -1 1 271.273 -0.343 20 0 CBADMM O=C([C@@H]1CCCc2nn[nH]c21)N1CC[C@H](c2nn[n-]n2)C1 ZINC001363219225 893470419 /nfs/dbraw/zinc/47/04/19/893470419.db2.gz QCUKDTVSGZOXNU-JGVFFNPUSA-N -1 1 288.315 -0.246 20 0 CBADMM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)CCS1(=O)=O ZINC001363223470 893472255 /nfs/dbraw/zinc/47/22/55/893472255.db2.gz HOZPLBCLNMLUOJ-QMMMGPOBSA-N -1 1 274.346 -0.883 20 0 CBADMM CCC[C@@H](O)[C@@H](CO)NC(=O)c1cnncc1[O-] ZINC001451153702 913772715 /nfs/dbraw/zinc/77/27/15/913772715.db2.gz DIVNUZUNUTZXGT-RKDXNWHRSA-N -1 1 255.274 -0.566 20 0 CBADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001363229677 893480948 /nfs/dbraw/zinc/48/09/48/893480948.db2.gz CHZHTFWOPMNCLD-RQJHMYQMSA-N -1 1 295.299 -0.563 20 0 CBADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)n[n-]1 ZINC001363229677 893480912 /nfs/dbraw/zinc/48/09/12/893480912.db2.gz CHZHTFWOPMNCLD-RQJHMYQMSA-N -1 1 295.299 -0.563 20 0 CBADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)[n-]1 ZINC001363229677 893480934 /nfs/dbraw/zinc/48/09/34/893480934.db2.gz CHZHTFWOPMNCLD-RQJHMYQMSA-N -1 1 295.299 -0.563 20 0 CBADMM CC(C)CN(Cc1nn[n-]n1)C(=O)C[C@H](C)NC(N)=O ZINC001363275153 893523002 /nfs/dbraw/zinc/52/30/02/893523002.db2.gz CJJXUXNYGSVUTH-QMMMGPOBSA-N -1 1 283.336 -0.369 20 0 CBADMM COC[C@H](OC)C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC001363279248 893524592 /nfs/dbraw/zinc/52/45/92/893524592.db2.gz KIZSTMKIALTXLX-YUMQZZPRSA-N -1 1 289.361 -0.229 20 0 CBADMM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CO)Cc1cnc[nH]1 ZINC001363283750 893531088 /nfs/dbraw/zinc/53/10/88/893531088.db2.gz SORDXTINRRRTRL-ZETCQYMHSA-N -1 1 298.328 -0.955 20 0 CBADMM CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cnncc2[O-])C1 ZINC001363305352 893563079 /nfs/dbraw/zinc/56/30/79/893563079.db2.gz LXSJKBVEAFHLQL-MRVPVSSYSA-N -1 1 285.325 -0.311 20 0 CBADMM O=C([C@H](O)c1ccccn1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001363305712 893564993 /nfs/dbraw/zinc/56/49/93/893564993.db2.gz FGJAGBKQRRZCOO-PSASIEDQSA-N -1 1 274.284 -0.356 20 0 CBADMM CS(=O)(=O)C[C@H]1CCN(C(=O)c2cnncc2[O-])C1 ZINC001363305354 893565925 /nfs/dbraw/zinc/56/59/25/893565925.db2.gz LXSJKBVEAFHLQL-QMMMGPOBSA-N -1 1 285.325 -0.311 20 0 CBADMM O=C(CCc1nn[n-]n1)N1CCC[C@@H](n2ccnn2)CC1 ZINC001363327008 893584256 /nfs/dbraw/zinc/58/42/56/893584256.db2.gz LTPWCLFLGXOKHV-SNVBAGLBSA-N -1 1 290.331 -0.022 20 0 CBADMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001363353161 893606556 /nfs/dbraw/zinc/60/65/56/893606556.db2.gz DKVQVTSNYLANEP-SNVBAGLBSA-N -1 1 282.348 -0.485 20 0 CBADMM COC(=O)c1cc(NC(=O)CCCc2nn[n-]n2)nn1C ZINC001363364053 893618276 /nfs/dbraw/zinc/61/82/76/893618276.db2.gz CIDJCTMQQPTKQW-UHFFFAOYSA-N -1 1 293.287 -0.319 20 0 CBADMM O=C(N[C@H](CO)CNC(=O)C(F)F)c1ncccc1[O-] ZINC001451271856 913790359 /nfs/dbraw/zinc/79/03/59/913790359.db2.gz JXRCENKSVZQQJD-LURJTMIESA-N -1 1 289.238 -0.741 20 0 CBADMM CCn1ccc(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)n1 ZINC001363406562 893650963 /nfs/dbraw/zinc/65/09/63/893650963.db2.gz CCZGTZQJWBIVLV-JTQLQIEISA-N -1 1 291.315 -0.441 20 0 CBADMM CCn1ncc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)n1 ZINC001363412035 893657705 /nfs/dbraw/zinc/65/77/05/893657705.db2.gz UKOAGJNFHQTVSA-MRVPVSSYSA-N -1 1 278.276 -0.975 20 0 CBADMM COC[C@H](NC(=O)CNC(=O)C(C)(C)C)c1nn[n-]n1 ZINC001363431059 893672306 /nfs/dbraw/zinc/67/23/06/893672306.db2.gz GUCNBKISULIFET-ZETCQYMHSA-N -1 1 284.320 -0.834 20 0 CBADMM COC[C@H](NC(=O)CCn1cc(C)cn1)c1nn[n-]n1 ZINC001363429000 893672582 /nfs/dbraw/zinc/67/25/82/893672582.db2.gz CNLLTTDRPMIPRT-VIFPVBQESA-N -1 1 279.304 -0.401 20 0 CBADMM COC[C@@H](NC(=O)Cc1ccncc1C)c1nn[n-]n1 ZINC001363428990 893672854 /nfs/dbraw/zinc/67/28/54/893672854.db2.gz CIWWLPMMDANDCT-SNVBAGLBSA-N -1 1 276.300 -0.050 20 0 CBADMM O=C(N1CCC[C@H](Cc2nn[n-]n2)C1)[C@@]1(O)CCOC1 ZINC001363430062 893673073 /nfs/dbraw/zinc/67/30/73/893673073.db2.gz FSVICXQRSHIVJS-BXKDBHETSA-N -1 1 281.316 -0.868 20 0 CBADMM COC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1nn[n-]n1 ZINC001363430090 893673488 /nfs/dbraw/zinc/67/34/88/893673488.db2.gz GGSIMDILTILAOJ-AEJSXWLSSA-N -1 1 291.315 -0.459 20 0 CBADMM COC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OC)c1nn[n-]n1 ZINC001363437285 893675503 /nfs/dbraw/zinc/67/55/03/893675503.db2.gz QHHPSHSGGZQHEO-UTLUCORTSA-N -1 1 299.331 -0.555 20 0 CBADMM COC[C@@H](NC(=O)c1cc(C)nnc1C)c1nn[n-]n1 ZINC001363437360 893676299 /nfs/dbraw/zinc/67/62/99/893676299.db2.gz QSJKIWXHAKDETP-SECBINFHSA-N -1 1 277.288 -0.276 20 0 CBADMM COC[C@H](NC(=O)[C@H]1CCc2cncn2C1)c1nn[n-]n1 ZINC001363438818 893680344 /nfs/dbraw/zinc/68/03/44/893680344.db2.gz VGSMDFFQTPVZFZ-WPRPVWTQSA-N -1 1 291.315 -0.538 20 0 CBADMM COC[C@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)c1nn[n-]n1 ZINC001363439770 893680442 /nfs/dbraw/zinc/68/04/42/893680442.db2.gz XILDHQRUSPXPBX-UFBFGSQYSA-N -1 1 296.331 -0.548 20 0 CBADMM O=C(c1ccc(O)cn1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001363512392 893753215 /nfs/dbraw/zinc/75/32/15/893753215.db2.gz MQSWGUXVBBDRHX-VIFPVBQESA-N -1 1 276.256 -0.486 20 0 CBADMM O=C([C@@H]1CCOC(=O)N1)N1CCC(c2nn[n-]n2)CC1 ZINC001363519112 893756795 /nfs/dbraw/zinc/75/67/95/893756795.db2.gz LGHMOYNRUQTSRN-QMMMGPOBSA-N -1 1 280.288 -0.596 20 0 CBADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001363521802 893762333 /nfs/dbraw/zinc/76/23/33/893762333.db2.gz ASBRBXFVVDWDIW-IWSPIJDZSA-N -1 1 279.300 -0.285 20 0 CBADMM O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001363525395 893765722 /nfs/dbraw/zinc/76/57/22/893765722.db2.gz PHIVUQJGENRKQW-DTWKUNHWSA-N -1 1 297.340 -0.536 20 0 CBADMM CCOC(=O)C[C@@H](O)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001363542271 893780851 /nfs/dbraw/zinc/78/08/51/893780851.db2.gz FMAIUIQONOINFJ-SECBINFHSA-N -1 1 299.331 -0.502 20 0 CBADMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CSCC(=O)N1 ZINC001363542068 893780986 /nfs/dbraw/zinc/78/09/86/893780986.db2.gz DDIPFAAAMAUFSD-QMMMGPOBSA-N -1 1 298.372 -0.584 20 0 CBADMM CC(C)CN(Cc1nn[n-]n1)C(=O)C[C@@H]1CCNC1=O ZINC001363548197 893785922 /nfs/dbraw/zinc/78/59/22/893785922.db2.gz UGUGSXOTOVTPAD-VIFPVBQESA-N -1 1 280.332 -0.290 20 0 CBADMM CC(=O)N1CCC[C@@H]1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001363548495 893786985 /nfs/dbraw/zinc/78/69/85/893786985.db2.gz IZWIXOYUBUQCNS-SECBINFHSA-N -1 1 278.316 -0.294 20 0 CBADMM O=C(C[C@H]1CCCS1(=O)=O)NC1(c2nn[n-]n2)CCC1 ZINC001363549527 893787263 /nfs/dbraw/zinc/78/72/63/893787263.db2.gz LXFXAGIKWVEXSC-MRVPVSSYSA-N -1 1 299.356 -0.338 20 0 CBADMM CC(C)CN(Cc1nn[n-]n1)C(=O)Cc1nnc(N)s1 ZINC001363549058 893787567 /nfs/dbraw/zinc/78/75/67/893787567.db2.gz WVOIXPMTLKZIGU-UHFFFAOYSA-N -1 1 296.360 -0.139 20 0 CBADMM CC(C)[C@H](NC(=O)CCc1nn[n-]n1)C(=O)N1CCCC1 ZINC001363570229 893806560 /nfs/dbraw/zinc/80/65/60/893806560.db2.gz BCFPMZJAHWJRNW-LBPRGKRZSA-N -1 1 294.359 -0.105 20 0 CBADMM O=C(CCCc1nn[n-]n1)N1CC[C@@H](c2ncon2)C1 ZINC001363572846 893807375 /nfs/dbraw/zinc/80/73/75/893807375.db2.gz DUSYNWQVDXXCHX-MRVPVSSYSA-N -1 1 277.288 -0.079 20 0 CBADMM O=C(CCc1nn[n-]n1)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001363573775 893809329 /nfs/dbraw/zinc/80/93/29/893809329.db2.gz UMMUAWLCHGCYDK-QMMMGPOBSA-N -1 1 280.288 -0.768 20 0 CBADMM COC[C@@H](NC(=O)Cn1ccc(C)cc1=O)c1nn[n-]n1 ZINC001363582533 893818743 /nfs/dbraw/zinc/81/87/43/893818743.db2.gz APBRIGBBDWTHBQ-SECBINFHSA-N -1 1 292.299 -0.826 20 0 CBADMM COC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1nn[n-]n1 ZINC001363595034 893831855 /nfs/dbraw/zinc/83/18/55/893831855.db2.gz ZBDJTMILVMDKCR-IONNQARKSA-N -1 1 294.315 -0.986 20 0 CBADMM COC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)c1nn[n-]n1 ZINC001363595092 893832168 /nfs/dbraw/zinc/83/21/68/893832168.db2.gz ZCZRTYCPUUVPDD-DJLDLDEBSA-N -1 1 297.315 -0.407 20 0 CBADMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)CCc1nn[n-]n1)C2 ZINC001363626644 893860292 /nfs/dbraw/zinc/86/02/92/893860292.db2.gz RCRZZSKRMPHEOZ-LWINAJNOSA-N -1 1 279.300 -0.410 20 0 CBADMM CCOC(=O)C[C@H](O)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001363657840 893886367 /nfs/dbraw/zinc/88/63/67/893886367.db2.gz ALVUZDZJSQRHKY-VIFPVBQESA-N -1 1 297.315 -0.780 20 0 CBADMM O=C(c1ccc([O-])cn1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001363661868 893889493 /nfs/dbraw/zinc/88/94/93/893889493.db2.gz OPPDMEVAVHGDFI-AWEZNQCLSA-N -1 1 293.323 -0.694 20 0 CBADMM CCOC(=O)CC1(NC(=O)c2cnncc2[O-])COC1 ZINC001363665935 893895526 /nfs/dbraw/zinc/89/55/26/893895526.db2.gz VCGDSZRYORBRJO-UHFFFAOYSA-N -1 1 281.268 -0.366 20 0 CBADMM CCOC(=O)c1nc(CNC(=O)c2cnn(CC)n2)n[n-]1 ZINC001363703389 893924379 /nfs/dbraw/zinc/92/43/79/893924379.db2.gz GMHMMXUWKLSSHO-UHFFFAOYSA-N -1 1 293.287 -0.477 20 0 CBADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnn(CC)n2)n1 ZINC001363703389 893924395 /nfs/dbraw/zinc/92/43/95/893924395.db2.gz GMHMMXUWKLSSHO-UHFFFAOYSA-N -1 1 293.287 -0.477 20 0 CBADMM Cc1nnccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001363708152 893931218 /nfs/dbraw/zinc/93/12/18/893931218.db2.gz OUGMNWVEQMHTLZ-UHFFFAOYSA-N -1 1 282.285 -0.441 20 0 CBADMM Cc1nnccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001363708152 893931230 /nfs/dbraw/zinc/93/12/30/893931230.db2.gz OUGMNWVEQMHTLZ-UHFFFAOYSA-N -1 1 282.285 -0.441 20 0 CBADMM O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001363721264 893938717 /nfs/dbraw/zinc/93/87/17/893938717.db2.gz MUEFBUJTADZYBX-RXMQYKEDSA-N -1 1 296.316 -0.868 20 0 CBADMM COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001363719301 893939328 /nfs/dbraw/zinc/93/93/28/893939328.db2.gz CJCJRUHJIRLFQH-SECBINFHSA-N -1 1 293.283 -0.637 20 0 CBADMM O=C(c1ccc(CO)nc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001363725888 893941436 /nfs/dbraw/zinc/94/14/36/893941436.db2.gz SRXXATZSFJQILF-VIFPVBQESA-N -1 1 274.284 -0.283 20 0 CBADMM Cn1cc(S(=O)(=O)[N-]Cc2ccncc2)c(=O)[nH]c1=O ZINC001363722785 893943821 /nfs/dbraw/zinc/94/38/21/893943821.db2.gz 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1 284.234 -0.005 20 0 CBADMM COCCO[N-]C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000820608986 582576437 /nfs/dbraw/zinc/57/64/37/582576437.db2.gz PSBWKWFOTNQMAW-BQBZGAKWSA-N -1 1 284.234 -0.005 20 0 CBADMM C[C@H]1C[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820667043 582579341 /nfs/dbraw/zinc/57/93/41/582579341.db2.gz KSYRFDMKKLLLMH-NKWVEPMBSA-N -1 1 262.277 -0.770 20 0 CBADMM COCC1(C)CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000820710262 582580824 /nfs/dbraw/zinc/58/08/24/582580824.db2.gz KFKDQWFLUYEIPP-UHFFFAOYSA-N -1 1 258.318 -0.064 20 0 CBADMM C[C@@H]1COCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820813637 582584405 /nfs/dbraw/zinc/58/44/05/582584405.db2.gz LGVHZPDWRHEXGK-SSDOTTSWSA-N -1 1 292.303 -0.147 20 0 CBADMM C[C@@H]1COCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820813637 582584408 /nfs/dbraw/zinc/58/44/08/582584408.db2.gz LGVHZPDWRHEXGK-SSDOTTSWSA-N -1 1 292.303 -0.147 20 0 CBADMM CCC[C@@H](O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821028726 582590616 /nfs/dbraw/zinc/59/06/16/582590616.db2.gz YJONUQKZKGZWSV-SSDOTTSWSA-N -1 1 294.319 -0.117 20 0 CBADMM CCC[C@@H](O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821028726 582590618 /nfs/dbraw/zinc/59/06/18/582590618.db2.gz YJONUQKZKGZWSV-SSDOTTSWSA-N -1 1 294.319 -0.117 20 0 CBADMM CCC[C@@H]1C[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821033395 582590756 /nfs/dbraw/zinc/59/07/56/582590756.db2.gz AGQLLGJDSJWRTN-HTQZYQBOSA-N -1 1 276.304 -0.237 20 0 CBADMM CCN(CC1CC1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821197404 582595654 /nfs/dbraw/zinc/59/56/54/582595654.db2.gz KIEMFMYNOPQUQU-UHFFFAOYSA-N -1 1 276.304 -0.283 20 0 CBADMM CCNC(=O)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC000821285432 582597719 /nfs/dbraw/zinc/59/77/19/582597719.db2.gz JWAIXVUCLDLSDX-UHFFFAOYSA-N -1 1 262.273 -0.527 20 0 CBADMM O=C([O-])CNC(=O)CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000821531025 582608970 /nfs/dbraw/zinc/60/89/70/582608970.db2.gz UGQHDCDMCNYVCD-LLVKDONJSA-N -1 1 297.355 -0.575 20 0 CBADMM CN(C)c1nc(Cn2cnc(-c3nn[n-]n3)n2)ns1 ZINC000821590956 582611975 /nfs/dbraw/zinc/61/19/75/582611975.db2.gz NLUFZDDKUDVVBZ-UHFFFAOYSA-N -1 1 278.305 -0.576 20 0 CBADMM CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821621961 582612905 /nfs/dbraw/zinc/61/29/05/582612905.db2.gz NASUWMJVUFCGNG-LURJTMIESA-N -1 1 292.324 -0.111 20 0 CBADMM CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821621961 582612907 /nfs/dbraw/zinc/61/29/07/582612907.db2.gz NASUWMJVUFCGNG-LURJTMIESA-N -1 1 292.324 -0.111 20 0 CBADMM COC(=O)[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC000821639255 582613987 /nfs/dbraw/zinc/61/39/87/582613987.db2.gz UARBJWHPWSHODY-ZETCQYMHSA-N -1 1 277.288 -0.098 20 0 CBADMM COC(=O)[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC000821639255 582613991 /nfs/dbraw/zinc/61/39/91/582613991.db2.gz UARBJWHPWSHODY-ZETCQYMHSA-N -1 1 277.288 -0.098 20 0 CBADMM COCCOCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821692311 582615284 /nfs/dbraw/zinc/61/52/84/582615284.db2.gz UQFYMAXIDPKETN-UHFFFAOYSA-N -1 1 284.301 -0.075 20 0 CBADMM COCCOCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821692311 582615288 /nfs/dbraw/zinc/61/52/88/582615288.db2.gz UQFYMAXIDPKETN-UHFFFAOYSA-N -1 1 284.301 -0.075 20 0 CBADMM COc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000821828129 582621611 /nfs/dbraw/zinc/62/16/11/582621611.db2.gz QSRBTWJLEQRJHH-UHFFFAOYSA-N -1 1 258.245 -0.090 20 0 CBADMM CSC[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821956507 582624358 /nfs/dbraw/zinc/62/43/58/582624358.db2.gz QCAXLDBKYPMVOM-LURJTMIESA-N -1 1 282.333 -0.674 20 0 CBADMM CSCCCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821961195 582624599 /nfs/dbraw/zinc/62/45/99/582624599.db2.gz HMVRKWFCDSRREN-UHFFFAOYSA-N -1 1 296.360 -0.282 20 0 CBADMM COc1cccc([C@@H](OC)C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000822326981 582632043 /nfs/dbraw/zinc/63/20/43/582632043.db2.gz OWESUYGYUXLKMV-LLVKDONJSA-N -1 1 293.279 -0.034 20 0 CBADMM CO[C@@H](C(=O)NN1CC(=O)[N-]C1=O)C1CCCC1 ZINC000822332098 582632080 /nfs/dbraw/zinc/63/20/80/582632080.db2.gz IAHDKSUDERMFFL-SECBINFHSA-N -1 1 255.274 -0.225 20 0 CBADMM C[C@@H](CC(=O)NN1CC(=O)[N-]C1=O)[C@H]1CCCO1 ZINC000822333093 582632331 /nfs/dbraw/zinc/63/23/31/582632331.db2.gz VFXNHIADMGJCPE-JGVFFNPUSA-N -1 1 255.274 -0.225 20 0 CBADMM Cc1ccn(CC(=O)NC(C)C)c(=O)c1-c1nn[n-]n1 ZINC000822369905 582633590 /nfs/dbraw/zinc/63/35/90/582633590.db2.gz OSGUMKPLVAUQKL-UHFFFAOYSA-N -1 1 276.300 -0.139 20 0 CBADMM Cc1cnc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000822395203 582633897 /nfs/dbraw/zinc/63/38/97/582633897.db2.gz WDYIPAANXIBUOA-UHFFFAOYSA-N -1 1 291.300 -0.138 20 0 CBADMM Cc1ncoc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822482313 582636598 /nfs/dbraw/zinc/63/65/98/582636598.db2.gz PHGCVNFPSVNEKX-UHFFFAOYSA-N -1 1 260.217 -0.370 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](O)C2)n1 ZINC000822609155 582641329 /nfs/dbraw/zinc/64/13/29/582641329.db2.gz KQJKADXRHQPQFS-LURJTMIESA-N -1 1 278.276 -0.801 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](O)C2)n1 ZINC000822609155 582641331 /nfs/dbraw/zinc/64/13/31/582641331.db2.gz KQJKADXRHQPQFS-LURJTMIESA-N -1 1 278.276 -0.801 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(O)CC2)n1 ZINC000822609571 582641411 /nfs/dbraw/zinc/64/14/11/582641411.db2.gz QIVYZWPRJLXPFT-UHFFFAOYSA-N -1 1 292.303 -0.411 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(O)CC2)n1 ZINC000822609571 582641412 /nfs/dbraw/zinc/64/14/12/582641412.db2.gz QIVYZWPRJLXPFT-UHFFFAOYSA-N -1 1 292.303 -0.411 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCOC2)n1 ZINC000822613649 582641835 /nfs/dbraw/zinc/64/18/35/582641835.db2.gz FKSPBBWLOIUMKQ-SSDOTTSWSA-N -1 1 292.303 -0.099 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCOC2)n1 ZINC000822613649 582641836 /nfs/dbraw/zinc/64/18/36/582641836.db2.gz FKSPBBWLOIUMKQ-SSDOTTSWSA-N -1 1 292.303 -0.099 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cocn2)n1 ZINC000822619643 582641870 /nfs/dbraw/zinc/64/18/70/582641870.db2.gz CGFIJXYFWSKICH-UHFFFAOYSA-N -1 1 289.259 -0.090 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cocn2)n1 ZINC000822619643 582641871 /nfs/dbraw/zinc/64/18/71/582641871.db2.gz CGFIJXYFWSKICH-UHFFFAOYSA-N -1 1 289.259 -0.090 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(CO)CC2)n1 ZINC000822613741 582641874 /nfs/dbraw/zinc/64/18/74/582641874.db2.gz GLBHNOVWIHMMIG-UHFFFAOYSA-N -1 1 292.303 -0.506 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(CO)CC2)n1 ZINC000822613741 582641876 /nfs/dbraw/zinc/64/18/76/582641876.db2.gz GLBHNOVWIHMMIG-UHFFFAOYSA-N -1 1 292.303 -0.506 20 0 CBADMM NC(=O)C[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000822865246 582650824 /nfs/dbraw/zinc/65/08/24/582650824.db2.gz YRCHBZWFFWSJKN-QMMMGPOBSA-N -1 1 288.315 -0.252 20 0 CBADMM NC(=O)C[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000822865246 582650826 /nfs/dbraw/zinc/65/08/26/582650826.db2.gz YRCHBZWFFWSJKN-QMMMGPOBSA-N -1 1 288.315 -0.252 20 0 CBADMM O=C(CCn1cncn1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822986540 582654792 /nfs/dbraw/zinc/65/47/92/582654792.db2.gz GZHOTUCLBALFKU-UHFFFAOYSA-N -1 1 291.300 -0.057 20 0 CBADMM O=C(CCn1cncn1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822986540 582654794 /nfs/dbraw/zinc/65/47/94/582654794.db2.gz GZHOTUCLBALFKU-UHFFFAOYSA-N -1 1 291.300 -0.057 20 0 CBADMM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)NCCO ZINC000823013959 582655651 /nfs/dbraw/zinc/65/56/51/582655651.db2.gz DDELRDPKWOPVAX-UHFFFAOYSA-N -1 1 297.706 -0.565 20 0 CBADMM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)NCCO ZINC000823013959 582655655 /nfs/dbraw/zinc/65/56/55/582655655.db2.gz DDELRDPKWOPVAX-UHFFFAOYSA-N -1 1 297.706 -0.565 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC2(CCC2)C1 ZINC000823123208 582659278 /nfs/dbraw/zinc/65/92/78/582659278.db2.gz RZLPJUOFBBRSLY-UHFFFAOYSA-N -1 1 288.315 -0.139 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CC1 ZINC000823123091 582659296 /nfs/dbraw/zinc/65/92/96/582659296.db2.gz NMEQBBGPRYWKHT-SECBINFHSA-N -1 1 288.315 -0.141 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCSCC1 ZINC000823126915 582659734 /nfs/dbraw/zinc/65/97/34/582659734.db2.gz NQTPHDBIGYGAHM-UHFFFAOYSA-N -1 1 280.317 -0.966 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCCS1 ZINC000823127283 582659805 /nfs/dbraw/zinc/65/98/05/582659805.db2.gz YXEWHIRTSZLJIT-ZETCQYMHSA-N -1 1 294.344 -0.530 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)OCC(F)(F)F ZINC000823136343 582659937 /nfs/dbraw/zinc/65/99/37/582659937.db2.gz WZNAAMRBMKFDLN-UHFFFAOYSA-N -1 1 277.166 -0.436 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCC1CC1 ZINC000823131436 582660008 /nfs/dbraw/zinc/66/00/08/582660008.db2.gz HHOFOZKFDJZDCH-UHFFFAOYSA-N -1 1 276.304 -0.235 20 0 CBADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CNC(=O)C1 ZINC000823519514 582671954 /nfs/dbraw/zinc/67/19/54/582671954.db2.gz HDSGSLAJOHWDSB-QMMMGPOBSA-N -1 1 288.267 -0.559 20 0 CBADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CNC(=O)C1 ZINC000823519514 582671956 /nfs/dbraw/zinc/67/19/56/582671956.db2.gz HDSGSLAJOHWDSB-QMMMGPOBSA-N -1 1 288.267 -0.559 20 0 CBADMM O=C1NC[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCN12 ZINC000823547327 582673350 /nfs/dbraw/zinc/67/33/50/582673350.db2.gz ITAVIOPSHFAXOU-MRVPVSSYSA-N -1 1 286.299 -0.525 20 0 CBADMM O=C1NC[C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCN12 ZINC000823547327 582673352 /nfs/dbraw/zinc/67/33/52/582673352.db2.gz ITAVIOPSHFAXOU-MRVPVSSYSA-N -1 1 286.299 -0.525 20 0 CBADMM OC[C@H](O)CSc1nccnc1-c1nn[n-]n1 ZINC000823714764 582677715 /nfs/dbraw/zinc/67/77/15/582677715.db2.gz PDAGTBZFCJSHFA-YFKPBYRVSA-N -1 1 254.275 -0.898 20 0 CBADMM CC(C)Cn1ncnc1Cn1cnc(-c2nn[n-]n2)n1 ZINC000824284883 582691913 /nfs/dbraw/zinc/69/19/13/582691913.db2.gz QSRUNLIPRYGKKX-UHFFFAOYSA-N -1 1 274.292 -0.246 20 0 CBADMM CC(C)NC(=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824305086 582693368 /nfs/dbraw/zinc/69/33/68/582693368.db2.gz KMBSZKUWDYJLMA-UHFFFAOYSA-N -1 1 262.277 -0.407 20 0 CBADMM CC(C)NC(=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824305086 582693371 /nfs/dbraw/zinc/69/33/71/582693371.db2.gz KMBSZKUWDYJLMA-UHFFFAOYSA-N -1 1 262.277 -0.407 20 0 CBADMM CC(C)n1nnnc1Cn1ccnc1-c1nnn[n-]1 ZINC000824377856 582695454 /nfs/dbraw/zinc/69/54/54/582695454.db2.gz PRYICCAXCJKJRA-UHFFFAOYSA-N -1 1 260.265 -0.321 20 0 CBADMM CC(C)n1nnnc1Cn1ccnc1-c1nn[n-]n1 ZINC000824377856 582695455 /nfs/dbraw/zinc/69/54/55/582695455.db2.gz PRYICCAXCJKJRA-UHFFFAOYSA-N -1 1 260.265 -0.321 20 0 CBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N1CCOCC1 ZINC000824429427 582696757 /nfs/dbraw/zinc/69/67/57/582696757.db2.gz WMXQUDXCDBCDAI-SECBINFHSA-N -1 1 290.331 -0.211 20 0 CBADMM C[C@@H](CO)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824441127 582697387 /nfs/dbraw/zinc/69/73/87/582697387.db2.gz OAKBGJGKBXJHBW-LURJTMIESA-N -1 1 280.292 -0.555 20 0 CBADMM C[C@@H](CO)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824441127 582697389 /nfs/dbraw/zinc/69/73/89/582697389.db2.gz OAKBGJGKBXJHBW-LURJTMIESA-N -1 1 280.292 -0.555 20 0 CBADMM C[C@H](CC(=O)N1CCO[C@@H](c2nn[nH]n2)C1)NC(=O)[O-] ZINC000824600489 582702529 /nfs/dbraw/zinc/70/25/29/582702529.db2.gz YOKBXWXQZIOKHP-RNFRBKRXSA-N -1 1 284.276 -0.854 20 0 CBADMM C[C@H](CC(=O)N[C@@H](C)CN1CCN(C)CC1)NC(=O)[O-] ZINC000824607054 582702871 /nfs/dbraw/zinc/70/28/71/582702871.db2.gz UPMUXEBKQPGTFO-MNOVXSKESA-N -1 1 286.376 -0.215 20 0 CBADMM C[C@@H](CC(=O)NC[C@H]1CN(C)CCN1C)NC(=O)[O-] ZINC000824633795 582703475 /nfs/dbraw/zinc/70/34/75/582703475.db2.gz BDMZCROYXNCQCZ-UWVGGRQHSA-N -1 1 272.349 -0.605 20 0 CBADMM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCN1CCN(C)CC1 ZINC000824854747 582713058 /nfs/dbraw/zinc/71/30/58/582713058.db2.gz MMLWZZFTWLDRSZ-NSHDSACASA-N -1 1 286.376 -0.404 20 0 CBADMM COC[C@H]1CCCN1NC(=O)CCCc1nn[n-]n1 ZINC000824876129 582713962 /nfs/dbraw/zinc/71/39/62/582713962.db2.gz MZUCJLSYAPRFCK-SECBINFHSA-N -1 1 268.321 -0.336 20 0 CBADMM C[C@@H](CN1CCN(C)CC1)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000824907139 582715211 /nfs/dbraw/zinc/71/52/11/582715211.db2.gz IRPMXKZUCPENKL-NSHDSACASA-N -1 1 298.387 -0.262 20 0 CBADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC000824977357 582717536 /nfs/dbraw/zinc/71/75/36/582717536.db2.gz QPCDXWHRAQZBRT-XVKPBYJWSA-N -1 1 274.284 -0.286 20 0 CBADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC000824977357 582717538 /nfs/dbraw/zinc/71/75/38/582717538.db2.gz 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CBADMM CCCN(CC(=O)N(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825308101 582732152 /nfs/dbraw/zinc/73/21/52/582732152.db2.gz VFWZYFIYBKDXPM-UHFFFAOYSA-N -1 1 290.331 -0.039 20 0 CBADMM CCCN(CC(=O)N(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825308101 582732154 /nfs/dbraw/zinc/73/21/54/582732154.db2.gz VFWZYFIYBKDXPM-UHFFFAOYSA-N -1 1 290.331 -0.039 20 0 CBADMM C[C@@H](O)CN1CCN(C(=O)CC2CN(C(=O)[O-])C2)C[C@@H]1C ZINC000825528736 582739506 /nfs/dbraw/zinc/73/95/06/582739506.db2.gz SBALUWHVIBASLL-WDEREUQCSA-N -1 1 299.371 -0.100 20 0 CBADMM CN(C(=O)[C@@H]1CCCN(C2CC2)C1=O)c1nn[n-]n1 ZINC000825531273 582739798 /nfs/dbraw/zinc/73/97/98/582739798.db2.gz JULAXJBYEOHDMI-QMMMGPOBSA-N -1 1 264.289 -0.437 20 0 CBADMM CCS(=O)(=O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825658668 582743143 /nfs/dbraw/zinc/74/31/43/582743143.db2.gz IWSDAFXXJIBXMJ-ZETCQYMHSA-N -1 1 297.344 -0.108 20 0 CBADMM CCS(=O)(=O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825658668 582743145 /nfs/dbraw/zinc/74/31/45/582743145.db2.gz 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/nfs/dbraw/zinc/74/80/75/582748075.db2.gz SLXPSISXNZJNTE-ZCFIWIBFSA-N -1 1 292.324 -0.111 20 0 CBADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCNC1=O ZINC000825826031 582748147 /nfs/dbraw/zinc/74/81/47/582748147.db2.gz SLXPSISXNZJNTE-LURJTMIESA-N -1 1 292.324 -0.111 20 0 CBADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCNC1=O ZINC000825826031 582748149 /nfs/dbraw/zinc/74/81/49/582748149.db2.gz SLXPSISXNZJNTE-LURJTMIESA-N -1 1 292.324 -0.111 20 0 CBADMM CC(=O)NC(C)(C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000825855403 582748814 /nfs/dbraw/zinc/74/88/14/582748814.db2.gz ZWBLIDPJQIKVCU-JTQLQIEISA-N -1 1 299.371 -0.092 20 0 CBADMM CN(CC1CC1)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825902398 582750292 /nfs/dbraw/zinc/75/02/92/582750292.db2.gz SZOUQCJCELDSLX-UHFFFAOYSA-N -1 1 261.289 -0.068 20 0 CBADMM CN(CC1CC1)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825902398 582750297 /nfs/dbraw/zinc/75/02/97/582750297.db2.gz SZOUQCJCELDSLX-UHFFFAOYSA-N -1 1 261.289 -0.068 20 0 CBADMM CN(CCN1CCOCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825937393 582751423 /nfs/dbraw/zinc/75/14/23/582751423.db2.gz BYZVXLYKIZKFKS-UHFFFAOYSA-N -1 1 290.331 -0.575 20 0 CBADMM CN(CCN1CCOCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825937393 582751424 /nfs/dbraw/zinc/75/14/24/582751424.db2.gz BYZVXLYKIZKFKS-UHFFFAOYSA-N -1 1 290.331 -0.575 20 0 CBADMM CN1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000826017165 582754954 /nfs/dbraw/zinc/75/49/54/582754954.db2.gz HRZLUHAUABZLKX-ZCFIWIBFSA-N -1 1 260.261 -0.701 20 0 CBADMM CN1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000826017165 582754957 /nfs/dbraw/zinc/75/49/57/582754957.db2.gz HRZLUHAUABZLKX-ZCFIWIBFSA-N -1 1 260.261 -0.701 20 0 CBADMM CN1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000826017163 582755165 /nfs/dbraw/zinc/75/51/65/582755165.db2.gz HRZLUHAUABZLKX-LURJTMIESA-N -1 1 260.261 -0.701 20 0 CBADMM CN1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000826017163 582755167 /nfs/dbraw/zinc/75/51/67/582755167.db2.gz HRZLUHAUABZLKX-LURJTMIESA-N -1 1 260.261 -0.701 20 0 CBADMM CNC(=O)C(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826052195 582757260 /nfs/dbraw/zinc/75/72/60/582757260.db2.gz PNVAPVHGYQVWIV-UHFFFAOYSA-N -1 1 276.304 -0.159 20 0 CBADMM CNC(=O)C(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826052195 582757263 /nfs/dbraw/zinc/75/72/63/582757263.db2.gz PNVAPVHGYQVWIV-UHFFFAOYSA-N -1 1 276.304 -0.159 20 0 CBADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCc1nc[nH]n1 ZINC000826110729 582759566 /nfs/dbraw/zinc/75/95/66/582759566.db2.gz ULDLRDOTIVNWGW-VXNVDRBHSA-N -1 1 297.315 -0.033 20 0 CBADMM COC(=O)C1=NO[C@@H](Cn2ccnc2-c2nnn[n-]2)C1 ZINC000826129537 582760647 /nfs/dbraw/zinc/76/06/47/582760647.db2.gz UTVPFDNVLWABHZ-ZCFIWIBFSA-N -1 1 277.244 -0.619 20 0 CBADMM COC(=O)C1=NO[C@@H](Cn2ccnc2-c2nn[n-]n2)C1 ZINC000826129537 582760649 /nfs/dbraw/zinc/76/06/49/582760649.db2.gz UTVPFDNVLWABHZ-ZCFIWIBFSA-N -1 1 277.244 -0.619 20 0 CBADMM COC[C@@H](CNc1nccnc1-c1nnn[n-]1)OC ZINC000826149686 582762133 /nfs/dbraw/zinc/76/21/33/582762133.db2.gz MVQLLPSERZRFHK-SSDOTTSWSA-N -1 1 265.277 -0.270 20 0 CBADMM COC[C@@H](CNc1nccnc1-c1nn[n-]n1)OC ZINC000826149686 582762134 /nfs/dbraw/zinc/76/21/34/582762134.db2.gz MVQLLPSERZRFHK-SSDOTTSWSA-N -1 1 265.277 -0.270 20 0 CBADMM COCC1(O)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000826153287 582763059 /nfs/dbraw/zinc/76/30/59/582763059.db2.gz IELICKPGTRVTKL-UHFFFAOYSA-N -1 1 291.315 -0.366 20 0 CBADMM COCC1(O)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000826153287 582763063 /nfs/dbraw/zinc/76/30/63/582763063.db2.gz IELICKPGTRVTKL-UHFFFAOYSA-N -1 1 291.315 -0.366 20 0 CBADMM COCCN(CC(=O)OC)c1cccc(-c2nnn[n-]2)n1 ZINC000826157958 582763789 /nfs/dbraw/zinc/76/37/89/582763789.db2.gz SVLLNIGZDRCYEV-UHFFFAOYSA-N -1 1 292.299 -0.113 20 0 CBADMM COCCN(CC(=O)OC)c1cccc(-c2nn[n-]n2)n1 ZINC000826157958 582763791 /nfs/dbraw/zinc/76/37/91/582763791.db2.gz SVLLNIGZDRCYEV-UHFFFAOYSA-N -1 1 292.299 -0.113 20 0 CBADMM COCCN(CCOC)c1ccc(-c2nnn[n-]2)nn1 ZINC000826158382 582763924 /nfs/dbraw/zinc/76/39/24/582763924.db2.gz NGHUJEXIDCIDOF-UHFFFAOYSA-N -1 1 279.304 -0.244 20 0 CBADMM COCCN(CCOC)c1ccc(-c2nn[n-]n2)nn1 ZINC000826158382 582763927 /nfs/dbraw/zinc/76/39/27/582763927.db2.gz NGHUJEXIDCIDOF-UHFFFAOYSA-N -1 1 279.304 -0.244 20 0 CBADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)N(C)C ZINC000826231910 582764803 /nfs/dbraw/zinc/76/48/03/582764803.db2.gz NHVMLXFPHYMJKM-ZCFIWIBFSA-N -1 1 262.277 -0.455 20 0 CBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)N(C)C ZINC000826231910 582764804 /nfs/dbraw/zinc/76/48/04/582764804.db2.gz NHVMLXFPHYMJKM-ZCFIWIBFSA-N -1 1 262.277 -0.455 20 0 CBADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@H](C(N)=O)C1 ZINC000826280908 582765922 /nfs/dbraw/zinc/76/59/22/582765922.db2.gz VXMHRSHKHXDKHM-VIFPVBQESA-N -1 1 289.299 -0.739 20 0 CBADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@H](C(N)=O)C1 ZINC000826280908 582765926 /nfs/dbraw/zinc/76/59/26/582765926.db2.gz VXMHRSHKHXDKHM-VIFPVBQESA-N -1 1 289.299 -0.739 20 0 CBADMM Cc1nc2n(n1)C[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826329201 582766569 /nfs/dbraw/zinc/76/65/69/582766569.db2.gz UALGGZJYOJRQHO-MRVPVSSYSA-N -1 1 298.314 -0.016 20 0 CBADMM Cc1nc2n(n1)C[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826329201 582766571 /nfs/dbraw/zinc/76/65/71/582766571.db2.gz UALGGZJYOJRQHO-MRVPVSSYSA-N -1 1 298.314 -0.016 20 0 CBADMM Cc1onc(CC(=O)N(C)CC[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826343400 582766886 /nfs/dbraw/zinc/76/68/86/582766886.db2.gz ZHCMTVQEXUQGIU-SSDOTTSWSA-N -1 1 294.315 -0.065 20 0 CBADMM Cc1onc(CC(=O)N(C)CC[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826343400 582766888 /nfs/dbraw/zinc/76/68/88/582766888.db2.gz ZHCMTVQEXUQGIU-SSDOTTSWSA-N -1 1 294.315 -0.065 20 0 CBADMM Cc1onc(CC(=O)N(C)[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826342993 582767059 /nfs/dbraw/zinc/76/70/59/582767059.db2.gz IRWKSCNDFCOLEP-QMMMGPOBSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1onc(CC(=O)N(C)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826342993 582767060 /nfs/dbraw/zinc/76/70/60/582767060.db2.gz IRWKSCNDFCOLEP-QMMMGPOBSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1onc(CC(=O)N(C)[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826342992 582767158 /nfs/dbraw/zinc/76/71/58/582767158.db2.gz IRWKSCNDFCOLEP-MRVPVSSYSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1onc(CC(=O)N(C)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826342992 582767161 /nfs/dbraw/zinc/76/71/61/582767161.db2.gz IRWKSCNDFCOLEP-MRVPVSSYSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1onc(CC(=O)N2C[C@@H](C)[C@H](O)C2)c1-c1nnn[n-]1 ZINC000826344080 582767392 /nfs/dbraw/zinc/76/73/92/582767392.db2.gz WTEQQDLUSORNOH-HZGVNTEJSA-N -1 1 292.299 -0.455 20 0 CBADMM Cc1onc(CC(=O)N2C[C@@H](C)[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826344080 582767395 /nfs/dbraw/zinc/76/73/95/582767395.db2.gz WTEQQDLUSORNOH-HZGVNTEJSA-N -1 1 292.299 -0.455 20 0 CBADMM Cc1onc(CC(=O)N[C@H]2CCO[C@@H]2C)c1-c1nnn[n-]1 ZINC000826346189 582767496 /nfs/dbraw/zinc/76/74/96/582767496.db2.gz GBYUBGNDCZNTEW-SVRRBLITSA-N -1 1 292.299 -0.001 20 0 CBADMM Cc1onc(CC(=O)N[C@H]2CCO[C@@H]2C)c1-c1nn[n-]n1 ZINC000826346189 582767498 /nfs/dbraw/zinc/76/74/98/582767498.db2.gz GBYUBGNDCZNTEW-SVRRBLITSA-N -1 1 292.299 -0.001 20 0 CBADMM Cc1onc(CC(=O)NC[C@H](O)C2CC2)c1-c1nnn[n-]1 ZINC000826346245 582767582 /nfs/dbraw/zinc/76/75/82/582767582.db2.gz HIDNLYNQXDNMHJ-VIFPVBQESA-N -1 1 292.299 -0.407 20 0 CBADMM Cc1onc(CC(=O)NC[C@H](O)C2CC2)c1-c1nn[n-]n1 ZINC000826346245 582767584 /nfs/dbraw/zinc/76/75/84/582767584.db2.gz HIDNLYNQXDNMHJ-VIFPVBQESA-N -1 1 292.299 -0.407 20 0 CBADMM Cn1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cccc1=O ZINC000826354906 582767889 /nfs/dbraw/zinc/76/78/89/582767889.db2.gz APEPCODOWXCUEX-UHFFFAOYSA-N -1 1 286.255 -0.967 20 0 CBADMM Cc1onc(CC(=O)NC[C@@H](O)C(C)C)c1-c1nnn[n-]1 ZINC000826346559 582767978 /nfs/dbraw/zinc/76/79/78/582767978.db2.gz PIGBLRYCIHFMHT-SECBINFHSA-N -1 1 294.315 -0.161 20 0 CBADMM Cc1onc(CC(=O)NC[C@@H](O)C(C)C)c1-c1nn[n-]n1 ZINC000826346559 582767980 /nfs/dbraw/zinc/76/79/80/582767980.db2.gz PIGBLRYCIHFMHT-SECBINFHSA-N -1 1 294.315 -0.161 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(CO)CC2)n1 ZINC000826357034 582768243 /nfs/dbraw/zinc/76/82/43/582768243.db2.gz OSUHEBFJWHMWMH-UHFFFAOYSA-N -1 1 278.276 -0.753 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(CO)CC2)n1 ZINC000826357034 582768247 /nfs/dbraw/zinc/76/82/47/582768247.db2.gz OSUHEBFJWHMWMH-UHFFFAOYSA-N -1 1 278.276 -0.753 20 0 CBADMM Cn1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC000826361284 582768653 /nfs/dbraw/zinc/76/86/53/582768653.db2.gz RTGJQKFALLDXEZ-UHFFFAOYSA-N -1 1 285.271 -0.680 20 0 CBADMM Cn1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC000826361284 582768656 /nfs/dbraw/zinc/76/86/56/582768656.db2.gz RTGJQKFALLDXEZ-UHFFFAOYSA-N -1 1 285.271 -0.680 20 0 CBADMM NC(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826390193 582770744 /nfs/dbraw/zinc/77/07/44/582770744.db2.gz SIUVZTCVUKRQRX-ZETCQYMHSA-N -1 1 274.288 -0.642 20 0 CBADMM NC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826390193 582770747 /nfs/dbraw/zinc/77/07/47/582770747.db2.gz SIUVZTCVUKRQRX-ZETCQYMHSA-N -1 1 274.288 -0.642 20 0 CBADMM NC(=O)[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826390399 582770832 /nfs/dbraw/zinc/77/08/32/582770832.db2.gz YNHRAZHQZUDLBJ-SECBINFHSA-N -1 1 278.272 -0.854 20 0 CBADMM NC(=O)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000826390399 582770834 /nfs/dbraw/zinc/77/08/34/582770834.db2.gz YNHRAZHQZUDLBJ-SECBINFHSA-N -1 1 278.272 -0.854 20 0 CBADMM NC(=O)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000826390435 582770866 /nfs/dbraw/zinc/77/08/66/582770866.db2.gz ZVHDBUNAMVMRNH-MRVPVSSYSA-N -1 1 294.340 -0.386 20 0 CBADMM NC(=O)[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)O1 ZINC000826389897 582770938 /nfs/dbraw/zinc/77/09/38/582770938.db2.gz LDXCLVFXEIMJPG-SVRRBLITSA-N -1 1 290.287 -0.899 20 0 CBADMM NC(=O)[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)O1 ZINC000826389897 582770939 /nfs/dbraw/zinc/77/09/39/582770939.db2.gz LDXCLVFXEIMJPG-SVRRBLITSA-N -1 1 290.287 -0.899 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826395363 582771883 /nfs/dbraw/zinc/77/18/83/582771883.db2.gz XYUSMKJBRQKNTJ-LPBLVHEISA-N -1 1 275.272 -0.289 20 0 CBADMM NS(=O)(=O)[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826394479 582771997 /nfs/dbraw/zinc/77/19/97/582771997.db2.gz LMCGFQXGTFYQOV-ZETCQYMHSA-N -1 1 295.328 -0.871 20 0 CBADMM NS(=O)(=O)[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826394479 582771999 /nfs/dbraw/zinc/77/19/99/582771999.db2.gz LMCGFQXGTFYQOV-ZETCQYMHSA-N -1 1 295.328 -0.871 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CC1(O)CCCC1 ZINC000826395136 582772005 /nfs/dbraw/zinc/77/20/05/582772005.db2.gz OJFYOBLZCQYMHC-UHFFFAOYSA-N -1 1 277.288 -0.019 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccn(C(F)F)n1 ZINC000826395777 582772250 /nfs/dbraw/zinc/77/22/50/582772250.db2.gz SHVNEMPYWTVGEQ-UHFFFAOYSA-N -1 1 295.213 -0.075 20 0 CBADMM O=C(CNc1ccc(-c2nnn[n-]2)nn1)NC1CC1 ZINC000826414275 582772415 /nfs/dbraw/zinc/77/24/15/582772415.db2.gz NOLILJWASFJBHP-UHFFFAOYSA-N -1 1 260.261 -0.653 20 0 CBADMM O=C(CNc1ccc(-c2nn[n-]n2)nn1)NC1CC1 ZINC000826414275 582772417 /nfs/dbraw/zinc/77/24/17/582772417.db2.gz NOLILJWASFJBHP-UHFFFAOYSA-N -1 1 260.261 -0.653 20 0 CBADMM O=C(Cn1cncn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826425611 582772677 /nfs/dbraw/zinc/77/26/77/582772677.db2.gz LELAFDKANJXYNC-UHFFFAOYSA-N -1 1 286.255 -0.198 20 0 CBADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)s2)CCN1 ZINC000826481091 582776459 /nfs/dbraw/zinc/77/64/59/582776459.db2.gz HJNCOYCWTGNLKX-UHFFFAOYSA-N -1 1 264.314 -0.140 20 0 CBADMM O=S1(=O)CCCN1CCn1ccnc1-c1nnn[n-]1 ZINC000826496792 582776788 /nfs/dbraw/zinc/77/67/88/582776788.db2.gz JUGYDAFZILHEQO-UHFFFAOYSA-N -1 1 283.317 -0.901 20 0 CBADMM O=S1(=O)CCCN1CCn1ccnc1-c1nn[n-]n1 ZINC000826496792 582776793 /nfs/dbraw/zinc/77/67/93/582776793.db2.gz JUGYDAFZILHEQO-UHFFFAOYSA-N -1 1 283.317 -0.901 20 0 CBADMM O=S(=O)(N[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488547 582776803 /nfs/dbraw/zinc/77/68/03/582776803.db2.gz SMWORCYEOBQLEW-ZETCQYMHSA-N -1 1 296.312 -0.671 20 0 CBADMM O=S(=O)(N[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488547 582776804 /nfs/dbraw/zinc/77/68/04/582776804.db2.gz SMWORCYEOBQLEW-ZETCQYMHSA-N -1 1 296.312 -0.671 20 0 CBADMM O=S1(=O)CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826497207 582776837 /nfs/dbraw/zinc/77/68/37/582776837.db2.gz YNRPIKYRIRLLMH-SSDOTTSWSA-N -1 1 295.328 -0.354 20 0 CBADMM O=S1(=O)CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826497207 582776840 /nfs/dbraw/zinc/77/68/40/582776840.db2.gz YNRPIKYRIRLLMH-SSDOTTSWSA-N -1 1 295.328 -0.354 20 0 CBADMM OCC[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC000826508870 582777963 /nfs/dbraw/zinc/77/79/63/582777963.db2.gz FAAUAWUBZIQCGT-GFCCVEGCSA-N -1 1 291.315 -0.142 20 0 CBADMM OCC[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC000826508870 582777965 /nfs/dbraw/zinc/77/79/65/582777965.db2.gz FAAUAWUBZIQCGT-GFCCVEGCSA-N -1 1 291.315 -0.142 20 0 CBADMM OCC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC000826508644 582778083 /nfs/dbraw/zinc/77/80/83/582778083.db2.gz WUGANVAYLGHCGM-UHFFFAOYSA-N -1 1 291.315 -0.142 20 0 CBADMM OCC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC000826508644 582778085 /nfs/dbraw/zinc/77/80/85/582778085.db2.gz WUGANVAYLGHCGM-UHFFFAOYSA-N -1 1 291.315 -0.142 20 0 CBADMM OCC[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC000826508871 582778103 /nfs/dbraw/zinc/77/81/03/582778103.db2.gz FAAUAWUBZIQCGT-LBPRGKRZSA-N -1 1 291.315 -0.142 20 0 CBADMM OCC[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC000826508871 582778106 /nfs/dbraw/zinc/77/81/06/582778106.db2.gz FAAUAWUBZIQCGT-LBPRGKRZSA-N -1 1 291.315 -0.142 20 0 CBADMM OCCn1ccc(Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826510470 582778701 /nfs/dbraw/zinc/77/87/01/582778701.db2.gz SPVXQYXUNDYYJU-UHFFFAOYSA-N -1 1 273.260 -0.411 20 0 CBADMM OCCn1ccc(Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826510470 582778704 /nfs/dbraw/zinc/77/87/04/582778704.db2.gz SPVXQYXUNDYYJU-UHFFFAOYSA-N -1 1 273.260 -0.411 20 0 CBADMM c1nc2n(n1)C[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826526606 582780080 /nfs/dbraw/zinc/78/00/80/582780080.db2.gz FDQBMENVCQKROB-SSDOTTSWSA-N -1 1 284.287 -0.325 20 0 CBADMM c1nc2n(n1)C[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826526606 582780081 /nfs/dbraw/zinc/78/00/81/582780081.db2.gz FDQBMENVCQKROB-SSDOTTSWSA-N -1 1 284.287 -0.325 20 0 CBADMM CC[C@H]1CN(C(=O)[C@H](C)NC(=O)[O-])CCN1C[C@H](C)O ZINC000826680343 582785562 /nfs/dbraw/zinc/78/55/62/582785562.db2.gz AUMYPFJPADJRJD-DCAQKATOSA-N -1 1 287.360 -0.054 20 0 CBADMM CC[C@@H]1CN(C(=O)CN(C)C(=O)[O-])CCN1C[C@H](C)O ZINC000826680282 582785763 /nfs/dbraw/zinc/78/57/63/582785763.db2.gz AIYFKEMAJLEXEX-WDEREUQCSA-N -1 1 287.360 -0.100 20 0 CBADMM CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)[O-])CCN1C[C@H](C)O ZINC000826674586 582785773 /nfs/dbraw/zinc/78/57/73/582785773.db2.gz AUMYPFJPADJRJD-HBNTYKKESA-N -1 1 287.360 -0.054 20 0 CBADMM CC[C@@H]1CN(C(=O)CCNC(=O)[O-])CCN1C[C@H](C)O ZINC000826682910 582786234 /nfs/dbraw/zinc/78/62/34/582786234.db2.gz QAZFPTHZKIFSPT-WDEREUQCSA-N -1 1 287.360 -0.052 20 0 CBADMM CCC[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1nn[nH]n1 ZINC000826742865 582787708 /nfs/dbraw/zinc/78/77/08/582787708.db2.gz GGCZYPKPBJIDKU-JGVFFNPUSA-N -1 1 298.303 -0.464 20 0 CBADMM CC1(C)OC[C@@H]2C[C@@]21C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826833363 582790119 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/nfs/dbraw/zinc/19/45/38/815194538.db2.gz JDQMEMAYJVUJPE-QMMMGPOBSA-N -1 1 293.331 -0.747 20 0 CBADMM Cc1nc2c(C(=O)N=c3ncnc4[nH][n-]c(C)c3-4)c[nH]n2n1 ZINC001154658351 815232718 /nfs/dbraw/zinc/23/27/18/815232718.db2.gz BZKWSUPGPAPDSE-UHFFFAOYSA-N -1 1 297.282 -0.034 20 0 CBADMM O=C(/C=C/Cn1cncn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001155086126 815262319 /nfs/dbraw/zinc/26/23/19/815262319.db2.gz WRHNFPWEVMSWKM-YWNRKNDBSA-N -1 1 288.315 -0.246 20 0 CBADMM COC[C@H](NC(=O)[C@@H]1CCCOC1)c1nn[n-]n1 ZINC001155068436 815260164 /nfs/dbraw/zinc/26/01/64/815260164.db2.gz IINQPEWGNARBKN-SFYZADRCSA-N -1 1 255.278 -0.570 20 0 CBADMM CCc1nnc2c(C(=O)NCc3nn[n-]n3)cccn12 ZINC001156055965 815334834 /nfs/dbraw/zinc/33/48/34/815334834.db2.gz GNHZZEWWSWOVDJ-UHFFFAOYSA-N -1 1 272.272 -0.265 20 0 CBADMM O=C(CCc1nn[n-]n1)N[C@H](c1ncon1)C1CC1 ZINC001156221490 815346241 /nfs/dbraw/zinc/34/62/41/815346241.db2.gz ODSNNDGGTKPVDW-VIFPVBQESA-N -1 1 263.261 -0.217 20 0 CBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCC[S@@](C)=O ZINC001156373525 815356293 /nfs/dbraw/zinc/35/62/93/815356293.db2.gz SMUPLDNDOQELMI-LJQANCHMSA-N -1 1 289.313 -0.605 20 0 CBADMM NC(=O)[C@@H](O)CNC(=O)c1c([O-])cccc1Cl ZINC001156611251 815369120 /nfs/dbraw/zinc/36/91/20/815369120.db2.gz BUCQEEBYQUWEMK-ZETCQYMHSA-N -1 1 258.661 -0.378 20 0 CBADMM Cc1n[nH]c(C(=O)NCCCNCc2nncn2C)c1[O-] ZINC001156620131 815370506 /nfs/dbraw/zinc/37/05/06/815370506.db2.gz KGLVGRDAYQQDGL-UHFFFAOYSA-N -1 1 293.331 -0.538 20 0 CBADMM O=C1[N-]OC[C@H]1Nc1nc(Cl)nc2c1CNCC2 ZINC001156685820 815373195 /nfs/dbraw/zinc/37/31/95/815373195.db2.gz RNNIPBWJJMUMBA-SSDOTTSWSA-N -1 1 269.692 -0.382 20 0 CBADMM CCc1cc(N[C@@H]2CO[N-]C2=O)nc(N2CCOCC2)n1 ZINC001156694513 815373915 /nfs/dbraw/zinc/37/39/15/815373915.db2.gz GGLNKVPMYGROLD-SNVBAGLBSA-N -1 1 293.327 -0.283 20 0 CBADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC2)C3)nc1=O ZINC001095080432 810737632 /nfs/dbraw/zinc/73/76/32/810737632.db2.gz QDVLKLABWWQVLW-VWYCJHECSA-N -1 1 291.355 -0.260 20 0 CBADMM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)c1[O-] ZINC001095316100 810747725 /nfs/dbraw/zinc/74/77/25/810747725.db2.gz HSLQBLPHWJFJLV-UTLUCORTSA-N -1 1 280.328 -0.249 20 0 CBADMM COCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001101660608 811118833 /nfs/dbraw/zinc/11/88/33/811118833.db2.gz HLBYHJAWYWGLRD-RKDXNWHRSA-N -1 1 283.332 -0.659 20 0 CBADMM CCOCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001101697594 811121358 /nfs/dbraw/zinc/12/13/58/811121358.db2.gz TYJYSFONSFOFDF-NXEZZACHSA-N -1 1 297.359 -0.269 20 0 CBADMM COC[C@@H](O)CN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001112782147 811595432 /nfs/dbraw/zinc/59/54/32/811595432.db2.gz GKVOBVXIGZYFNA-NSHDSACASA-N -1 1 295.339 -0.448 20 0 CBADMM C/C=C(/C)C(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]12 ZINC001114121769 811721902 /nfs/dbraw/zinc/72/19/02/811721902.db2.gz ALFJSELXTLJDLT-MZXRZHIHSA-N -1 1 291.355 -0.379 20 0 CBADMM C/C=C(\C)C(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]12 ZINC001114121768 811721972 /nfs/dbraw/zinc/72/19/72/811721972.db2.gz ALFJSELXTLJDLT-GCFBONRZSA-N -1 1 291.355 -0.379 20 0 CBADMM CCCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(C)n1 ZINC001115910383 812206943 /nfs/dbraw/zinc/20/69/43/812206943.db2.gz FXOMEEUYSSNXHC-ZCFIWIBFSA-N -1 1 260.319 -0.198 20 0 CBADMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001115931743 812208172 /nfs/dbraw/zinc/20/81/72/812208172.db2.gz DGQRKOHZNRUWQV-SECBINFHSA-N -1 1 294.311 -0.782 20 0 CBADMM COc1cc[n-]c(=NNS(=O)(=O)c2c[nH]c(C)n2)n1 ZINC001115966735 812209564 /nfs/dbraw/zinc/20/95/64/812209564.db2.gz AWYUGHDIXURQMA-UHFFFAOYSA-N -1 1 284.301 -0.178 20 0 CBADMM O=C(c1ccon1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001116027915 812213803 /nfs/dbraw/zinc/21/38/03/812213803.db2.gz GWILKBIMAVCVPV-ZETCQYMHSA-N -1 1 250.218 -0.599 20 0 CBADMM O=C(C=Cc1cnccn1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001116028158 812213990 /nfs/dbraw/zinc/21/39/90/812213990.db2.gz IGBTZWYZUIHZRC-YOLVWIGZSA-N -1 1 287.283 -0.397 20 0 CBADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1nn[n-]n1 ZINC001116037551 812215859 /nfs/dbraw/zinc/21/58/59/812215859.db2.gz WMCVFXCQNZDYQD-ZCFIWIBFSA-N -1 1 263.305 -0.030 20 0 CBADMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001116144845 812225785 /nfs/dbraw/zinc/22/57/85/812225785.db2.gz GHJNCBUUEGFPFU-ZCFIWIBFSA-N -1 1 263.257 -0.902 20 0 CBADMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001116386634 812251482 /nfs/dbraw/zinc/25/14/82/812251482.db2.gz ULCPWVGELYUYMI-ZCFIWIBFSA-N -1 1 263.257 -0.902 20 0 CBADMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(C2OCCO2)c1 ZINC001116414778 812256878 /nfs/dbraw/zinc/25/68/78/812256878.db2.gz YOXRCUTWRTVAJM-UHFFFAOYSA-N -1 1 291.263 -0.071 20 0 CBADMM CCn1c(CNC(=O)c2nnc(O)nc2O)n[n-]c1=S ZINC001116422614 812258042 /nfs/dbraw/zinc/25/80/42/812258042.db2.gz FWSVLPAIOMUGKA-UHFFFAOYSA-N -1 1 297.300 -0.887 20 0 CBADMM CN(CCN1CCCC1=O)Cc1nc(=O)n(C)[n-]1 ZINC001116557499 812277563 /nfs/dbraw/zinc/27/75/63/812277563.db2.gz MOYOFTVFRVLZMU-UHFFFAOYSA-N -1 1 253.306 -0.837 20 0 CBADMM Cn1[n-]c(CN[C@H](CCO)c2ccco2)nc1=O ZINC001116617905 812285703 /nfs/dbraw/zinc/28/57/03/812285703.db2.gz ZEMDODJKIYRGOU-MRVPVSSYSA-N -1 1 252.274 -0.085 20 0 CBADMM COc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)ccn1 ZINC001116630189 812287305 /nfs/dbraw/zinc/28/73/05/812287305.db2.gz VDPSPSVAFDODQF-UHFFFAOYSA-N -1 1 264.241 -0.131 20 0 CBADMM Cc1cc(NC(=O)C(=O)N(C)C[C@@H](C)c2nn[n-]n2)no1 ZINC001116669111 812292580 /nfs/dbraw/zinc/29/25/80/812292580.db2.gz GIXXYKJYQXGAKF-ZCFIWIBFSA-N -1 1 293.287 -0.303 20 0 CBADMM O=C(c1ccc[n+]([O-])c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001116663982 812292931 /nfs/dbraw/zinc/29/29/31/812292931.db2.gz VOZAUPHOCDHVTO-SECBINFHSA-N -1 1 292.324 -0.237 20 0 CBADMM C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@@H]1O ZINC001116674562 812294169 /nfs/dbraw/zinc/29/41/69/812294169.db2.gz BIXRARVYHZMGDQ-ZJUUUORDSA-N -1 1 281.312 -0.844 20 0 CBADMM O=C(COC(=O)C1(CO)COC1)[N-]C(=O)c1ccccc1 ZINC001116904441 812335214 /nfs/dbraw/zinc/33/52/14/812335214.db2.gz OKXFFEIHNPVJHN-UHFFFAOYSA-N -1 1 293.275 -0.505 20 0 CBADMM CO[C@@H](C)C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001117664747 812427077 /nfs/dbraw/zinc/42/70/77/812427077.db2.gz HYIHGHWIBOBJLY-LURJTMIESA-N -1 1 251.246 -0.301 20 0 CBADMM COc1cc[n-]c(=NNS(=O)(=O)c2cnn(C)c2C)n1 ZINC001117718641 812437546 /nfs/dbraw/zinc/43/75/46/812437546.db2.gz HOFBORDJRMHGEG-UHFFFAOYSA-N -1 1 298.328 -0.167 20 0 CBADMM CCn1nncc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC001117758323 812445977 /nfs/dbraw/zinc/44/59/77/812445977.db2.gz MOILNUKQFRWDQR-SSDOTTSWSA-N -1 1 264.293 -0.313 20 0 CBADMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC(=O)[O-] ZINC001118254374 812508993 /nfs/dbraw/zinc/50/89/93/812508993.db2.gz FNKRISFKPWOYFL-ONGXEEELSA-N -1 1 297.355 -0.434 20 0 CBADMM Cc1noc([C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)n1 ZINC001118309567 812524262 /nfs/dbraw/zinc/52/42/62/812524262.db2.gz XSZVIFYSCMXPSL-ZCFIWIBFSA-N -1 1 252.278 -0.007 20 0 CBADMM Cn1[n-]c(C(=O)NCCN2CCC(O)CC2)cc1=O ZINC001118767286 812620439 /nfs/dbraw/zinc/62/04/39/812620439.db2.gz CIWHOOMYZDEZJG-UHFFFAOYSA-N -1 1 268.317 -0.688 20 0 CBADMM O=C([C@@H]1CCNC1=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001118803272 812632206 /nfs/dbraw/zinc/63/22/06/812632206.db2.gz VAQNRZUDEQWKCU-MRVPVSSYSA-N -1 1 280.284 -0.383 20 0 CBADMM Cn1[n-]c(CN2CCc3cnc(N)nc3C2)nc1=O ZINC001118848787 812640747 /nfs/dbraw/zinc/64/07/47/812640747.db2.gz GIYAGXQZPSXQML-UHFFFAOYSA-N -1 1 261.289 -0.961 20 0 CBADMM CCC(CC)(C(=O)[O-])C(=O)NC[C@H]1COCCN1 ZINC001118978115 812681273 /nfs/dbraw/zinc/68/12/73/812681273.db2.gz DMGBTIUWXBAKIU-VIFPVBQESA-N -1 1 258.318 -0.018 20 0 CBADMM O=C(CCCc1nn[n-]n1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001119107543 812713673 /nfs/dbraw/zinc/71/36/73/812713673.db2.gz VJEZDRFWXYWMEG-KEJSXXJDSA-N -1 1 269.330 -0.746 20 0 CBADMM C[C@@H]1CN(C(=O)C2(N(C)C)CC2)C[C@H](C(=O)[O-])O1 ZINC001119581564 812816679 /nfs/dbraw/zinc/81/66/79/812816679.db2.gz ILZJEWXDNCPESG-RKDXNWHRSA-N -1 1 256.302 -0.219 20 0 CBADMM CN1CCC[C@H]1C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001119654567 812854656 /nfs/dbraw/zinc/85/46/56/812854656.db2.gz ZBKBRHIIYJTTIK-LPEHRKFASA-N -1 1 256.302 -0.483 20 0 CBADMM CN1CCC[C@H]1C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001119654564 812854772 /nfs/dbraw/zinc/85/47/72/812854772.db2.gz ZBKBRHIIYJTTIK-AEJSXWLSSA-N -1 1 256.302 -0.483 20 0 CBADMM NC(=O)c1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)nn1 ZINC001159192049 815562163 /nfs/dbraw/zinc/56/21/63/815562163.db2.gz IBMAJAOTYJJESR-UHFFFAOYSA-N -1 1 272.228 -0.309 20 0 CBADMM CN(C(=O)c1cnncc1[O-])[C@H]1CCC(=O)N(C)C1 ZINC001120657214 813008291 /nfs/dbraw/zinc/00/82/91/813008291.db2.gz URZSWCRIMNIRRM-QMMMGPOBSA-N -1 1 264.285 -0.125 20 0 CBADMM COC(=O)N(C)CCN(C)C(=O)c1cnncc1[O-] ZINC001120672296 813011042 /nfs/dbraw/zinc/01/10/42/813011042.db2.gz GOSFIXBUYBONIY-UHFFFAOYSA-N -1 1 268.273 -0.048 20 0 CBADMM C[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CNCCO2)[C@H]1C ZINC001121895072 813084265 /nfs/dbraw/zinc/08/42/65/813084265.db2.gz UXHCVNYTFXFNDP-PTRXPTGYSA-N -1 1 256.302 -0.314 20 0 CBADMM 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Cc1cc(O)c(C(=O)OCC(=O)NCC(=O)[O-])cn1 ZINC000820949423 582587591 /nfs/dbraw/zinc/58/75/91/582587591.db2.gz ZKIRFQHLSGTOEP-UHFFFAOYSA-N -1 1 268.225 -0.959 20 0 CBADMM CCC[C@](C)(O)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821008128 582590241 /nfs/dbraw/zinc/59/02/41/582590241.db2.gz HEAKQEDNCWZNEA-NSHDSACASA-N -1 1 294.319 -0.875 20 0 CBADMM O=C([O-])c1ccccc1NC(=O)C(=O)NCc1nn[nH]n1 ZINC000821452000 582604744 /nfs/dbraw/zinc/60/47/44/582604744.db2.gz XKJAMYUZSDTHLX-UHFFFAOYSA-N -1 1 290.239 -0.847 20 0 CBADMM O=C([O-])CNC(=O)CN1CCC(CCCO)CC1 ZINC000821529331 582607834 /nfs/dbraw/zinc/60/78/34/582607834.db2.gz GVQNCQIEKDMZCO-UHFFFAOYSA-N -1 1 258.318 -0.328 20 0 CBADMM O=C([O-])CNC(=O)CN[C@]1(CO)CCc2ccccc21 ZINC000821530367 582608474 /nfs/dbraw/zinc/60/84/74/582608474.db2.gz HOHSXWXCMLIVHC-AWEZNQCLSA-N -1 1 278.308 -0.389 20 0 CBADMM O=C([O-])CNC(=O)CN[C@@]1(CO)CCc2ccccc21 ZINC000821530369 582608583 /nfs/dbraw/zinc/60/85/83/582608583.db2.gz HOHSXWXCMLIVHC-CQSZACIVSA-N -1 1 278.308 -0.389 20 0 CBADMM O=C([O-])CNC(=O)CN[C@@H](CCO)c1ccccc1 ZINC000821530358 582608619 /nfs/dbraw/zinc/60/86/19/582608619.db2.gz HKRURXGJZJJGNK-NSHDSACASA-N -1 1 266.297 -0.100 20 0 CBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC2CC2)c1=O ZINC000821565091 582611195 /nfs/dbraw/zinc/61/11/95/582611195.db2.gz CSVORQNNMRCFBH-UHFFFAOYSA-N -1 1 262.273 -0.380 20 0 CBADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCC(C)(C)O)c1=O ZINC000821565436 582611208 /nfs/dbraw/zinc/61/12/08/582611208.db2.gz SRMDFEIYNOYSHY-UHFFFAOYSA-N -1 1 294.315 -0.629 20 0 CBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC000821572102 582611514 /nfs/dbraw/zinc/61/15/14/582611514.db2.gz RMTWUIZZUDTPQP-UHFFFAOYSA-N -1 1 276.304 -0.141 20 0 CBADMM CN(CC(C)(C)O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821595393 582612422 /nfs/dbraw/zinc/61/24/22/582612422.db2.gz WFGPMWAHTSKXMR-UHFFFAOYSA-N -1 1 294.319 -0.165 20 0 CBADMM CN(CC(C)(C)O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821595393 582612425 /nfs/dbraw/zinc/61/24/25/582612425.db2.gz WFGPMWAHTSKXMR-UHFFFAOYSA-N -1 1 294.319 -0.165 20 0 CBADMM COC[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821682804 582615036 /nfs/dbraw/zinc/61/50/36/582615036.db2.gz NYRFSKCQQGNYAD-LURJTMIESA-N -1 1 280.292 -0.243 20 0 CBADMM COC[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821682804 582615039 /nfs/dbraw/zinc/61/50/39/582615039.db2.gz NYRFSKCQQGNYAD-LURJTMIESA-N -1 1 280.292 -0.243 20 0 CBADMM COC(C)(C)CN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821672325 582615054 /nfs/dbraw/zinc/61/50/54/582615054.db2.gz GQOYGWYUCUJTHI-UHFFFAOYSA-N -1 1 294.319 -0.658 20 0 CBADMM CSCC[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821962501 582624642 /nfs/dbraw/zinc/62/46/42/582624642.db2.gz QXCIXMVUXSUSLT-SSDOTTSWSA-N -1 1 296.360 -0.284 20 0 CBADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cnn1C ZINC000822020799 582625685 /nfs/dbraw/zinc/62/56/85/582625685.db2.gz JRFUNWKFSGMBLZ-UHFFFAOYSA-N -1 1 273.260 -0.624 20 0 CBADMM COC(=O)c1cc(C(=O)NN2CC(=O)[N-]C2=O)c(C)o1 ZINC000822332555 582632121 /nfs/dbraw/zinc/63/21/21/582632121.db2.gz 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/nfs/dbraw/zinc/64/18/30/582641830.db2.gz BFBXQSJZSZVTDT-SSDOTTSWSA-N -1 1 292.303 -0.099 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCCO2)n1 ZINC000822613137 582641832 /nfs/dbraw/zinc/64/18/32/582641832.db2.gz BFBXQSJZSZVTDT-SSDOTTSWSA-N -1 1 292.303 -0.099 20 0 CBADMM Cn1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000822689233 582643919 /nfs/dbraw/zinc/64/39/19/582643919.db2.gz JFAWWICWAVJPAZ-UHFFFAOYSA-N -1 1 258.245 -0.328 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc[nH]c(=O)c1 ZINC000822903438 582652498 /nfs/dbraw/zinc/65/24/98/582652498.db2.gz LEPQYUKATIEIBA-UHFFFAOYSA-N -1 1 272.228 -0.566 20 0 CBADMM O=C(CN1CCSC1=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823002374 582654972 /nfs/dbraw/zinc/65/49/72/582654972.db2.gz XGMMMNDHOOYUOZ-UHFFFAOYSA-N -1 1 294.300 -0.303 20 0 CBADMM O=C(CN1CCSC1=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823002374 582654974 /nfs/dbraw/zinc/65/49/74/582654974.db2.gz XGMMMNDHOOYUOZ-UHFFFAOYSA-N -1 1 294.300 -0.303 20 0 CBADMM CC1(C)[C@H](O)CCN1C(=O)CCCc1nn[n-]n1 ZINC000823063599 582657374 /nfs/dbraw/zinc/65/73/74/582657374.db2.gz RLQBKYOYZGMTHJ-MRVPVSSYSA-N -1 1 253.306 -0.106 20 0 CBADMM O=C(NN1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823269949 582665144 /nfs/dbraw/zinc/66/51/44/582665144.db2.gz URFLBXZHFBOMSH-UHFFFAOYSA-N -1 1 280.313 -0.095 20 0 CBADMM O=C(NN1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823269949 582665146 /nfs/dbraw/zinc/66/51/46/582665146.db2.gz URFLBXZHFBOMSH-UHFFFAOYSA-N -1 1 280.313 -0.095 20 0 CBADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCC(=O)N1 ZINC000823530273 582672484 /nfs/dbraw/zinc/67/24/84/582672484.db2.gz HFKDDVBUQHFNHU-ZETCQYMHSA-N -1 1 288.267 -0.211 20 0 CBADMM O=S1(=O)CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000823613871 582675402 /nfs/dbraw/zinc/67/54/02/582675402.db2.gz KUTMKDNVOUCQPA-SSDOTTSWSA-N -1 1 295.328 -0.354 20 0 CBADMM O=S1(=O)CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000823613871 582675405 /nfs/dbraw/zinc/67/54/05/582675405.db2.gz KUTMKDNVOUCQPA-SSDOTTSWSA-N -1 1 295.328 -0.354 20 0 CBADMM C[C@@H](C(N)=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823738448 582679177 /nfs/dbraw/zinc/67/91/77/582679177.db2.gz WQLZYBRBARZCFB-VIFPVBQESA-N -1 1 273.333 -0.001 20 0 CBADMM c1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1-c1nn[nH]n1 ZINC000823821512 582681000 /nfs/dbraw/zinc/68/10/00/582681000.db2.gz VRYMXVBHTCTFKT-PHIMTYICSA-N -1 1 275.316 -0.074 20 0 CBADMM c1cn(C2CN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC000823809968 582681105 /nfs/dbraw/zinc/68/11/05/582681105.db2.gz TZXIVMFQBSTWCM-UHFFFAOYSA-N -1 1 269.272 -0.086 20 0 CBADMM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCc1nn[nH]n1 ZINC000823846325 582681690 /nfs/dbraw/zinc/68/16/90/582681690.db2.gz FKOZYFFUMGGDGT-ZCFIWIBFSA-N -1 1 256.266 -0.502 20 0 CBADMM CC(C)[C@H](CCN(C)CCS(N)(=O)=O)NC(=O)[O-] ZINC000824099211 582687281 /nfs/dbraw/zinc/68/72/81/582687281.db2.gz NIYWWFAKERGFOU-VIFPVBQESA-N -1 1 281.378 -0.111 20 0 CBADMM CC(C)CN(CC(N)=O)c1ccc(-c2nnn[n-]2)nn1 ZINC000824255647 582691422 /nfs/dbraw/zinc/69/14/22/582691422.db2.gz RMVKPXBEAYLWBC-UHFFFAOYSA-N -1 1 276.304 -0.396 20 0 CBADMM CC(C)CN(CC(N)=O)c1ccc(-c2nn[n-]n2)nn1 ZINC000824255647 582691423 /nfs/dbraw/zinc/69/14/23/582691423.db2.gz RMVKPXBEAYLWBC-UHFFFAOYSA-N -1 1 276.304 -0.396 20 0 CBADMM CC(C)OC[C@@H](O)Cn1ccnc1-c1nnn[n-]1 ZINC000824309883 582693265 /nfs/dbraw/zinc/69/32/65/582693265.db2.gz YJSBDBDTBCKCSD-QMMMGPOBSA-N -1 1 252.278 -0.151 20 0 CBADMM CC(C)OC[C@@H](O)Cn1ccnc1-c1nn[n-]n1 ZINC000824309883 582693268 /nfs/dbraw/zinc/69/32/68/582693268.db2.gz YJSBDBDTBCKCSD-QMMMGPOBSA-N -1 1 252.278 -0.151 20 0 CBADMM C[C@H](CC(=O)N1CCO[C@H](c2nn[nH]n2)C1)NC(=O)[O-] ZINC000824600490 582702473 /nfs/dbraw/zinc/70/24/73/582702473.db2.gz YOKBXWXQZIOKHP-RQJHMYQMSA-N -1 1 284.276 -0.854 20 0 CBADMM C[C@@H](CC(=O)NCCN1CCN(C)CC1)NC(=O)[O-] ZINC000824647788 582704469 /nfs/dbraw/zinc/70/44/69/582704469.db2.gz YLTIHHDRYFVKHY-JTQLQIEISA-N -1 1 272.349 -0.604 20 0 CBADMM CC1=CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000824852292 582712698 /nfs/dbraw/zinc/71/26/98/582712698.db2.gz JTWMYIREAOBHPQ-UHFFFAOYSA-N -1 1 274.288 -0.363 20 0 CBADMM C[C@H](CN1CCN(C)CC1)NC(=O)NC1CN(C(=O)[O-])C1 ZINC000824907357 582715088 /nfs/dbraw/zinc/71/50/88/582715088.db2.gz JZPBCUSCDAMOAI-SNVBAGLBSA-N -1 1 299.375 -0.716 20 0 CBADMM C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824908120 582715181 /nfs/dbraw/zinc/71/51/81/582715181.db2.gz MKDSYXSVFSHMCG-HTQZYQBOSA-N -1 1 288.315 -0.253 20 0 CBADMM C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824908120 582715183 /nfs/dbraw/zinc/71/51/83/582715183.db2.gz MKDSYXSVFSHMCG-HTQZYQBOSA-N -1 1 288.315 -0.253 20 0 CBADMM C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1F ZINC000824948325 582716021 /nfs/dbraw/zinc/71/60/21/582716021.db2.gz UCRZUCHGFMEFQP-JGVFFNPUSA-N -1 1 294.294 -0.335 20 0 CBADMM C[C@@H]1CN(C(=O)Cn2ccnc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824966292 582717147 /nfs/dbraw/zinc/71/71/47/582717147.db2.gz AFTRFIOFRCTZBI-RKDXNWHRSA-N -1 1 291.315 -0.301 20 0 CBADMM C[C@@H]1CN(C(=O)Cn2ccnc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824966292 582717151 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Cn1nncc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001362519051 892745933 /nfs/dbraw/zinc/74/59/33/892745933.db2.gz LSQCIFRAUAGPHK-SSDOTTSWSA-N -1 1 280.317 -0.742 20 0 CBADMM Cn1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)nn1 ZINC001362516117 892746324 /nfs/dbraw/zinc/74/63/24/892746324.db2.gz HOZBTNLITWDJKE-ZETCQYMHSA-N -1 1 280.317 -0.742 20 0 CBADMM O=C(CCCc1nn[n-]n1)N[C@H]1C[C@H]2CCCCN2C1=O ZINC001362517654 892746700 /nfs/dbraw/zinc/74/67/00/892746700.db2.gz WOLPOYBHKDHVDR-ZJUUUORDSA-N -1 1 292.343 -0.208 20 0 CBADMM O=C(CCCc1nn[n-]n1)N1CCC(n2ccnn2)CC1 ZINC001362520678 892749435 /nfs/dbraw/zinc/74/94/35/892749435.db2.gz VUBVCLBKDHOFHM-UHFFFAOYSA-N -1 1 290.331 -0.022 20 0 CBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(CO)CCOCC1 ZINC001362555894 892780836 /nfs/dbraw/zinc/78/08/36/892780836.db2.gz LSXYJMVROPEXGV-UHFFFAOYSA-N -1 1 299.283 -0.832 20 0 CBADMM O=C([C@H](O)C1CCC1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001362562277 892786052 /nfs/dbraw/zinc/78/60/52/892786052.db2.gz OZEMMTGTLDFOQA-SECBINFHSA-N -1 1 281.316 -0.829 20 0 CBADMM O=C(CC(F)(F)F)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001362561616 892786887 /nfs/dbraw/zinc/78/68/87/892786887.db2.gz KLJPSPMNMNNFSG-UHFFFAOYSA-N -1 1 279.222 -0.038 20 0 CBADMM O=C(CC1OCCCO1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001362562981 892787476 /nfs/dbraw/zinc/78/74/76/892787476.db2.gz SIATWTCWEPPSTK-UHFFFAOYSA-N -1 1 297.315 -0.837 20 0 CBADMM Cc1cnc(C(=O)N2CC(S(C)(=O)=O)C2)c([O-])c1 ZINC001362560158 892787534 /nfs/dbraw/zinc/78/75/34/892787534.db2.gz XGDZDAPLORZTKK-UHFFFAOYSA-N -1 1 270.310 -0.035 20 0 CBADMM O=C(c1cnn(CCO)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362560340 892787589 /nfs/dbraw/zinc/78/75/89/892787589.db2.gz DUBNGYHNLKZOAF-SECBINFHSA-N -1 1 291.315 -0.592 20 0 CBADMM NC(=O)[C@H]1CC[C@H](CNC(=O)CCc2nn[n-]n2)CC1 ZINC001362572104 892798181 /nfs/dbraw/zinc/79/81/81/892798181.db2.gz BXFONJZGXVMVAJ-KYZUINATSA-N -1 1 280.332 -0.460 20 0 CBADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001450493173 913703288 /nfs/dbraw/zinc/70/32/88/913703288.db2.gz 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CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](O)C2CC2)[n-]1 ZINC001362933494 893186129 /nfs/dbraw/zinc/18/61/29/893186129.db2.gz JKGVFHJOXIBHSP-XPUUQOCRSA-N -1 1 282.300 -0.071 20 0 CBADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](O)C2CC2)n1 ZINC001362933494 893186133 /nfs/dbraw/zinc/18/61/33/893186133.db2.gz JKGVFHJOXIBHSP-XPUUQOCRSA-N -1 1 282.300 -0.071 20 0 CBADMM CSc1nc(CNC(=O)Cn2cnnn2)cc(=O)[n-]1 ZINC001362959612 893206417 /nfs/dbraw/zinc/20/64/17/893206417.db2.gz CFWMOTMLPIBVHS-UHFFFAOYSA-N -1 1 281.301 -0.793 20 0 CBADMM O=C(CN1CCOC1=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001362969443 893212727 /nfs/dbraw/zinc/21/27/27/893212727.db2.gz HWNRALWOUBZTHM-SSDOTTSWSA-N -1 1 298.328 -0.732 20 0 CBADMM Cn1cncc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001363031353 893283877 /nfs/dbraw/zinc/28/38/77/893283877.db2.gz XPJDYBFPOTUEFX-UHFFFAOYSA-N -1 1 277.288 -0.943 20 0 CBADMM CCN1CCOC[C@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363037380 893288577 /nfs/dbraw/zinc/28/85/77/893288577.db2.gz KLGARTABZZOTTA-QMMMGPOBSA-N -1 1 282.300 -0.775 20 0 CBADMM CCCNC(=O)[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001363036956 893289511 /nfs/dbraw/zinc/28/95/11/893289511.db2.gz BIRCQKCDKKTPDI-LURJTMIESA-N -1 1 298.299 -0.459 20 0 CBADMM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ncccc1[O-] ZINC001363037345 893290087 /nfs/dbraw/zinc/29/00/87/893290087.db2.gz CDABDMNUDTWLSZ-QMMMGPOBSA-N -1 1 293.279 -0.757 20 0 CBADMM CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@@H]1CCNC1=O ZINC001363042742 893297021 /nfs/dbraw/zinc/29/70/21/893297021.db2.gz LNIAXSXWOUTDSP-ZCFIWIBFSA-N -1 1 296.283 -0.753 20 0 CBADMM CN(C(=O)CNC(=O)Cc1ccccc1)c1nn[n-]n1 ZINC001363051354 893305528 /nfs/dbraw/zinc/30/55/28/893305528.db2.gz MHOIUDBUXIGLDD-UHFFFAOYSA-N -1 1 274.284 -0.479 20 0 CBADMM COc1cccc(C[C@@H](O)C(=O)N(C)c2nn[n-]n2)c1 ZINC001363056568 893312036 /nfs/dbraw/zinc/31/20/36/893312036.db2.gz UGHCOGNACWDJDC-SNVBAGLBSA-N -1 1 277.284 -0.225 20 0 CBADMM CN(C(=O)CNC(=O)Cc1cccc(F)c1)c1nn[n-]n1 ZINC001363058682 893312546 /nfs/dbraw/zinc/31/25/46/893312546.db2.gz 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O=C(Cn1cc(Cl)cn1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001363204155 893455535 /nfs/dbraw/zinc/45/55/35/893455535.db2.gz OLOSMWVMXLLXDZ-QMMMGPOBSA-N -1 1 297.706 -0.350 20 0 CBADMM C[C@@H](CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)n1ccnc1 ZINC001363204549 893457862 /nfs/dbraw/zinc/45/78/62/893457862.db2.gz PLSKDJUPMQMWQG-VHSXEESVSA-N -1 1 291.315 -0.053 20 0 CBADMM CCn1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cn1 ZINC001363205585 893459623 /nfs/dbraw/zinc/45/96/23/893459623.db2.gz VNPMOXGXVOBJTK-SECBINFHSA-N -1 1 277.288 -0.370 20 0 CBADMM O=C(CCc1nn[n-]n1)N1CCC(CCO)(CCO)CC1 ZINC001363246007 893489951 /nfs/dbraw/zinc/48/99/51/893489951.db2.gz ZTZBWTQUAFCILH-UHFFFAOYSA-N -1 1 297.359 -0.494 20 0 CBADMM O=C(CCc1nn[n-]n1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC001363252687 893495268 /nfs/dbraw/zinc/49/52/68/893495268.db2.gz YNOZPHOSUGDLCJ-LLVKDONJSA-N -1 1 295.343 -0.071 20 0 CBADMM COC[C@@H](OC)C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC001363279247 893526955 /nfs/dbraw/zinc/52/69/55/893526955.db2.gz KIZSTMKIALTXLX-JGVFFNPUSA-N -1 1 289.361 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271.298 -0.229 20 0 CBADMM COC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1nn[n-]n1 ZINC001363430093 893673249 /nfs/dbraw/zinc/67/32/49/893673249.db2.gz GGSIMDILTILAOJ-IVZWLZJFSA-N -1 1 291.315 -0.459 20 0 CBADMM Cn1cc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)nn1 ZINC001363430750 893674012 /nfs/dbraw/zinc/67/40/12/893674012.db2.gz GIKBYXPHMHULTR-QMMMGPOBSA-N -1 1 276.304 -0.577 20 0 CBADMM COC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)c1nn[n-]n1 ZINC001363437278 893676795 /nfs/dbraw/zinc/67/67/95/893676795.db2.gz QHHPSHSGGZQHEO-GUBZILKMSA-N -1 1 299.331 -0.555 20 0 CBADMM COC[C@@H](NC(=O)c1ccn(C(F)F)n1)c1nn[n-]n1 ZINC001363437385 893676813 /nfs/dbraw/zinc/67/68/13/893676813.db2.gz QYZZPVQLHIALHA-ZCFIWIBFSA-N -1 1 287.230 -0.091 20 0 CBADMM COC[C@H](NC(=O)c1cc(C)nnc1C)c1nn[n-]n1 ZINC001363437362 893677073 /nfs/dbraw/zinc/67/70/73/893677073.db2.gz QSJKIWXHAKDETP-VIFPVBQESA-N -1 1 277.288 -0.276 20 0 CBADMM COC[C@H](NC(=O)CCCc1nc(C)no1)c1nn[n-]n1 ZINC001363438910 893679664 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NC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000822874418 582651371 /nfs/dbraw/zinc/65/13/71/582651371.db2.gz ZYONBUJTCSNJSS-SSDOTTSWSA-N -1 1 289.303 -0.388 20 0 CBADMM NC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000822874418 582651374 /nfs/dbraw/zinc/65/13/74/582651374.db2.gz ZYONBUJTCSNJSS-SSDOTTSWSA-N -1 1 289.303 -0.388 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000822902929 582652399 /nfs/dbraw/zinc/65/23/99/582652399.db2.gz FKPFZZJBIRTHMC-LURJTMIESA-N -1 1 299.298 -0.186 20 0 CBADMM Nc1ccnc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000822907525 582652590 /nfs/dbraw/zinc/65/25/90/582652590.db2.gz QTBSYQAZZWCYBZ-UHFFFAOYSA-N -1 1 297.282 -0.436 20 0 CBADMM Nc1ccnc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000822907525 582652592 /nfs/dbraw/zinc/65/25/92/582652592.db2.gz QTBSYQAZZWCYBZ-UHFFFAOYSA-N -1 1 297.282 -0.436 20 0 CBADMM CC1(C)[C@@H](O)CCN1C(=O)CCCc1nn[n-]n1 ZINC000823063601 582657352 /nfs/dbraw/zinc/65/73/52/582657352.db2.gz RLQBKYOYZGMTHJ-QMMMGPOBSA-N -1 1 253.306 -0.106 20 0 CBADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccco1 ZINC000823123427 582659395 /nfs/dbraw/zinc/65/93/95/582659395.db2.gz ZEICRZSFXLTAJA-UHFFFAOYSA-N -1 1 273.256 -0.027 20 0 CBADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccco1 ZINC000823123427 582659397 /nfs/dbraw/zinc/65/93/97/582659397.db2.gz ZEICRZSFXLTAJA-UHFFFAOYSA-N -1 1 273.256 -0.027 20 0 CBADMM O=C1OC[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCN12 ZINC000823551074 582673441 /nfs/dbraw/zinc/67/34/41/582673441.db2.gz DJIPZYKDLGTKAG-QMMMGPOBSA-N -1 1 287.283 -0.098 20 0 CBADMM O=C1OC[C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCN12 ZINC000823551074 582673443 /nfs/dbraw/zinc/67/34/43/582673443.db2.gz DJIPZYKDLGTKAG-QMMMGPOBSA-N -1 1 287.283 -0.098 20 0 CBADMM O=C1OC[C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCN12 ZINC000823551073 582673446 /nfs/dbraw/zinc/67/34/46/582673446.db2.gz DJIPZYKDLGTKAG-MRVPVSSYSA-N -1 1 287.283 -0.098 20 0 CBADMM O=C1OC[C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCN12 ZINC000823551073 582673447 /nfs/dbraw/zinc/67/34/47/582673447.db2.gz DJIPZYKDLGTKAG-MRVPVSSYSA-N -1 1 287.283 -0.098 20 0 CBADMM CC(C)(C(=O)NCc1c[nH]nn1)N1CCN(C(=O)[O-])CC1 ZINC000823743838 582679419 /nfs/dbraw/zinc/67/94/19/582679419.db2.gz PVESIDHAWSHTDI-UHFFFAOYSA-N -1 1 296.331 -0.505 20 0 CBADMM c1nn2c(c1-c1nn[nH]n1)NC[C@H](CN1CCOCC1)C2 ZINC000823820787 582681046 /nfs/dbraw/zinc/68/10/46/582681046.db2.gz LTMXSQXMVCLSQC-SECBINFHSA-N -1 1 290.331 -0.563 20 0 CBADMM CC(C)(CNC(=O)[O-])C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000823951447 582683553 /nfs/dbraw/zinc/68/35/53/582683553.db2.gz JHHFDEIRNMMQCE-ZETCQYMHSA-N -1 1 298.303 -0.607 20 0 CBADMM CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823987763 582684332 /nfs/dbraw/zinc/68/43/32/582684332.db2.gz BNGPNYHFLQJCST-VIFPVBQESA-N -1 1 288.315 -0.238 20 0 CBADMM CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823987763 582684333 /nfs/dbraw/zinc/68/43/33/582684333.db2.gz BNGPNYHFLQJCST-VIFPVBQESA-N -1 1 288.315 -0.238 20 0 CBADMM CC(C)(C)NC(=O)NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824094574 582687076 /nfs/dbraw/zinc/68/70/76/582687076.db2.gz YSFHJLWHUYWEAX-UHFFFAOYSA-N -1 1 292.303 -0.313 20 0 CBADMM CC(C)(C)NC(=O)NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824094574 582687077 /nfs/dbraw/zinc/68/70/77/582687077.db2.gz YSFHJLWHUYWEAX-UHFFFAOYSA-N -1 1 292.303 -0.313 20 0 CBADMM CC(C)[C@@H](O)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824206993 582690185 /nfs/dbraw/zinc/69/01/85/582690185.db2.gz NHOJRTGTSDCMSG-ZETCQYMHSA-N -1 1 265.277 -0.307 20 0 CBADMM CC(C)[C@@H]1CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824224237 582690735 /nfs/dbraw/zinc/69/07/35/582690735.db2.gz NXAOJYFHRXSZQU-QMMMGPOBSA-N -1 1 276.304 -0.285 20 0 CBADMM CC(C)CNC(=O)NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824265988 582691618 /nfs/dbraw/zinc/69/16/18/582691618.db2.gz ADKQIORHFZXQNM-UHFFFAOYSA-N -1 1 292.303 -0.455 20 0 CBADMM CC(C)CNC(=O)NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824265988 582691620 /nfs/dbraw/zinc/69/16/20/582691620.db2.gz ADKQIORHFZXQNM-UHFFFAOYSA-N -1 1 292.303 -0.455 20 0 CBADMM CC(C)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000824363092 582695237 /nfs/dbraw/zinc/69/52/37/582695237.db2.gz MZBZMMCWSUUANQ-UHFFFAOYSA-N -1 1 285.344 -0.082 20 0 CBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC000824429828 582696806 /nfs/dbraw/zinc/69/68/06/582696806.db2.gz ZCBMMXZHHVNXIN-ZCFIWIBFSA-N -1 1 283.317 -0.498 20 0 CBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC000824429828 582696808 /nfs/dbraw/zinc/69/68/08/582696808.db2.gz ZCBMMXZHHVNXIN-ZCFIWIBFSA-N -1 1 283.317 -0.498 20 0 CBADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)S(N)(=O)=O ZINC000824433725 582696880 /nfs/dbraw/zinc/69/68/80/582696880.db2.gz HFGJIXGHFUEIEO-ZCFIWIBFSA-N -1 1 283.317 -0.649 20 0 CBADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)S(N)(=O)=O ZINC000824433725 582696881 /nfs/dbraw/zinc/69/68/81/582696881.db2.gz HFGJIXGHFUEIEO-ZCFIWIBFSA-N -1 1 283.317 -0.649 20 0 CBADMM C[C@@H](CS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824449570 582697732 /nfs/dbraw/zinc/69/77/32/582697732.db2.gz OBMMYCKXOBXIPA-ZETCQYMHSA-N -1 1 297.344 -0.474 20 0 CBADMM C[C@@H](CS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824449570 582697734 /nfs/dbraw/zinc/69/77/34/582697734.db2.gz OBMMYCKXOBXIPA-ZETCQYMHSA-N -1 1 297.344 -0.474 20 0 CBADMM C[C@@H](C[S@@](C)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824448704 582697905 /nfs/dbraw/zinc/69/79/05/582697905.db2.gz KKANHJWANLIBLL-AHGSNSTDSA-N -1 1 267.318 -0.164 20 0 CBADMM C[C@@H](C[S@@](C)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824448704 582697906 /nfs/dbraw/zinc/69/79/06/582697906.db2.gz KKANHJWANLIBLL-AHGSNSTDSA-N -1 1 267.318 -0.164 20 0 CBADMM COCCN(CCF)C(=O)CCCc1nn[n-]n1 ZINC000824465079 582698287 /nfs/dbraw/zinc/69/82/87/582698287.db2.gz SOKCQRLKJGAFMJ-UHFFFAOYSA-N -1 1 259.285 -0.033 20 0 CBADMM CON(C)CCCNC(=O)CCCc1nn[n-]n1 ZINC000824587644 582701575 /nfs/dbraw/zinc/70/15/75/582701575.db2.gz FWWLVHKGSVIJTM-UHFFFAOYSA-N -1 1 256.310 -0.478 20 0 CBADMM C[C@H](O)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000824690747 582705903 /nfs/dbraw/zinc/70/59/03/582705903.db2.gz VHPYSRWPUUJHHP-YUMQZZPRSA-N -1 1 261.289 -0.136 20 0 CBADMM C[C@H](O)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000824690747 582705904 /nfs/dbraw/zinc/70/59/04/582705904.db2.gz VHPYSRWPUUJHHP-YUMQZZPRSA-N -1 1 261.289 -0.136 20 0 CBADMM C[C@@H](O)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000824690746 582705916 /nfs/dbraw/zinc/70/59/16/582705916.db2.gz VHPYSRWPUUJHHP-SFYZADRCSA-N -1 1 261.289 -0.136 20 0 CBADMM C[C@@H](O)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000824690746 582705917 /nfs/dbraw/zinc/70/59/17/582705917.db2.gz VHPYSRWPUUJHHP-SFYZADRCSA-N -1 1 261.289 -0.136 20 0 CBADMM C[C@H](O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824708604 582706602 /nfs/dbraw/zinc/70/66/02/582706602.db2.gz ZBHTUPTVPUJPPJ-ZETCQYMHSA-N -1 1 298.328 -0.737 20 0 CBADMM C[C@H](O)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824708604 582706604 /nfs/dbraw/zinc/70/66/04/582706604.db2.gz ZBHTUPTVPUJPPJ-ZETCQYMHSA-N -1 1 298.328 -0.737 20 0 CBADMM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000824840014 582711714 /nfs/dbraw/zinc/71/17/14/582711714.db2.gz HOESGTMUEYMYSO-YUMQZZPRSA-N -1 1 298.303 -0.655 20 0 CBADMM C[C@H]1C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824858269 582713410 /nfs/dbraw/zinc/71/34/10/582713410.db2.gz IQFLWSMNHAKHQR-ZETCQYMHSA-N -1 1 262.273 -0.220 20 0 CBADMM C[C@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824858269 582713414 /nfs/dbraw/zinc/71/34/14/582713414.db2.gz IQFLWSMNHAKHQR-ZETCQYMHSA-N -1 1 262.273 -0.220 20 0 CBADMM C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC000824946461 582716098 /nfs/dbraw/zinc/71/60/98/582716098.db2.gz JLEBKEHSUGNOLA-DTWKUNHWSA-N -1 1 290.331 -0.037 20 0 CBADMM C[C@@H]1CN(CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824985909 582718272 /nfs/dbraw/zinc/71/82/72/582718272.db2.gz ZXBXJPGTKQNYFN-SECBINFHSA-N -1 1 290.331 -0.211 20 0 CBADMM C[C@H]1CO[C@@H](CO)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825007597 582719288 /nfs/dbraw/zinc/71/92/88/582719288.db2.gz ZSMZGTBXMNZMMR-JGVFFNPUSA-N -1 1 277.288 -0.757 20 0 CBADMM C[C@H]1CO[C@@H](CO)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825007597 582719291 /nfs/dbraw/zinc/71/92/91/582719291.db2.gz ZSMZGTBXMNZMMR-JGVFFNPUSA-N -1 1 277.288 -0.757 20 0 CBADMM C[C@H]1OCC[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825019939 582720774 /nfs/dbraw/zinc/72/07/74/582720774.db2.gz HLHOAPBTYLFGJH-RNFRBKRXSA-N -1 1 277.288 -0.036 20 0 CBADMM C[C@H]1OCC[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825019939 582720776 /nfs/dbraw/zinc/72/07/76/582720776.db2.gz HLHOAPBTYLFGJH-RNFRBKRXSA-N -1 1 277.288 -0.036 20 0 CBADMM C[C@H]1OCC[C@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000825022084 582720858 /nfs/dbraw/zinc/72/08/58/582720858.db2.gz WAZBPXLEMUTESD-PHDIDXHHSA-N -1 1 263.261 -0.289 20 0 CBADMM CC[C@](C)(O)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825044932 582721308 /nfs/dbraw/zinc/72/13/08/582721308.db2.gz VYJQOPZNZIFXSG-LBPRGKRZSA-N -1 1 294.315 -0.017 20 0 CBADMM CC[C@](C)(O)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825044932 582721310 /nfs/dbraw/zinc/72/13/10/582721310.db2.gz VYJQOPZNZIFXSG-LBPRGKRZSA-N -1 1 294.315 -0.017 20 0 CBADMM CC[C@@H](C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000825051563 582721597 /nfs/dbraw/zinc/72/15/97/582721597.db2.gz RNXQHOGFQLHJJF-SSDOTTSWSA-N -1 1 292.299 -0.658 20 0 CBADMM CCn1ncc(C)c1NC(=O)NN1CC(=O)[N-]C1=O ZINC000825151465 582726573 /nfs/dbraw/zinc/72/65/73/582726573.db2.gz ZPFHZXWFCWBMLM-UHFFFAOYSA-N -1 1 266.261 -0.200 20 0 CBADMM C[C@H](NC(=O)[O-])C(=O)N1CCN(C2CCOCC2)CC1 ZINC000825179339 582727950 /nfs/dbraw/zinc/72/79/50/582727950.db2.gz YVDHRUNGIZRUEF-JTQLQIEISA-N -1 1 285.344 -0.034 20 0 CBADMM CCOC(=O)CCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000825512213 582738245 /nfs/dbraw/zinc/73/82/45/582738245.db2.gz YQBPTZOMAJFBDC-UHFFFAOYSA-N -1 1 292.299 -0.007 20 0 CBADMM CCOC(=O)c1cnn(CCC(N)=O)c1-c1nn[n-]n1 ZINC000825570950 582740742 /nfs/dbraw/zinc/74/07/42/582740742.db2.gz OWKNBDVEJHJXTF-UHFFFAOYSA-N -1 1 279.260 -0.885 20 0 CBADMM C[C@@]1(C(=O)NCc2nnc[nH]2)CCN(C(=O)[O-])C1 ZINC000825672249 582743894 /nfs/dbraw/zinc/74/38/94/582743894.db2.gz ARFIJLFLMZLYHR-SNVBAGLBSA-N -1 1 253.262 -0.189 20 0 CBADMM CCc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1N ZINC000825770556 582746726 /nfs/dbraw/zinc/74/67/26/582746726.db2.gz BDFIISKKJDOUOV-UHFFFAOYSA-N -1 1 290.316 -0.324 20 0 CBADMM CCc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1N ZINC000825770556 582746727 /nfs/dbraw/zinc/74/67/27/582746727.db2.gz BDFIISKKJDOUOV-UHFFFAOYSA-N -1 1 290.316 -0.324 20 0 CBADMM CN(C)S(=O)(=O)CCCn1ccnc1-c1nnn[n-]1 ZINC000825875433 582749672 /nfs/dbraw/zinc/74/96/72/582749672.db2.gz PITKLZGUAWQTJV-UHFFFAOYSA-N -1 1 285.333 -0.655 20 0 CBADMM CN(C)S(=O)(=O)CCCn1ccnc1-c1nn[n-]n1 ZINC000825875433 582749674 /nfs/dbraw/zinc/74/96/74/582749674.db2.gz PITKLZGUAWQTJV-UHFFFAOYSA-N -1 1 285.333 -0.655 20 0 CBADMM CN(CC(C)(CO)CO)c1cccc(-c2nnn[n-]2)n1 ZINC000825901965 582750231 /nfs/dbraw/zinc/75/02/31/582750231.db2.gz MNOYJUDOTMILQW-UHFFFAOYSA-N -1 1 278.316 -0.311 20 0 CBADMM CN(CC(C)(CO)CO)c1cccc(-c2nn[n-]n2)n1 ZINC000825901965 582750233 /nfs/dbraw/zinc/75/02/33/582750233.db2.gz MNOYJUDOTMILQW-UHFFFAOYSA-N -1 1 278.316 -0.311 20 0 CBADMM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000826000777 582754346 /nfs/dbraw/zinc/75/43/46/582754346.db2.gz QYURYWMUVPTRDX-WDEREUQCSA-N -1 1 294.355 -0.126 20 0 CBADMM CN1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000826038719 582756192 /nfs/dbraw/zinc/75/61/92/582756192.db2.gz WBARECIZXWBXLI-UHFFFAOYSA-N -1 1 273.300 -0.464 20 0 CBADMM CN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000826038719 582756195 /nfs/dbraw/zinc/75/61/95/582756195.db2.gz WBARECIZXWBXLI-UHFFFAOYSA-N -1 1 273.300 -0.464 20 0 CBADMM CNc1ncc(C(=O)n2ncc(-c3nn[n-]n3)c2N)s1 ZINC000826098996 582758936 /nfs/dbraw/zinc/75/89/36/582758936.db2.gz VKBUTIGKIGDSFH-UHFFFAOYSA-N -1 1 291.300 -0.168 20 0 CBADMM CNc1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cs1 ZINC000826098719 582758994 /nfs/dbraw/zinc/75/89/94/582758994.db2.gz MQMDRWVRMJIDMX-UHFFFAOYSA-N -1 1 291.300 -0.168 20 0 CBADMM COC(=O)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826104079 582759263 /nfs/dbraw/zinc/75/92/63/582759263.db2.gz PDHXSBXXIRPLCT-ZCFIWIBFSA-N -1 1 263.261 -0.122 20 0 CBADMM COC(=O)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826104079 582759265 /nfs/dbraw/zinc/75/92/65/582759265.db2.gz PDHXSBXXIRPLCT-ZCFIWIBFSA-N -1 1 263.261 -0.122 20 0 CBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1nnc[nH]1 ZINC000826115915 582759722 /nfs/dbraw/zinc/75/97/22/582759722.db2.gz MOVKEHVFZFNYNT-XPUUQOCRSA-N -1 1 283.288 -0.076 20 0 CBADMM COC[C@H](C)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826148391 582761929 /nfs/dbraw/zinc/76/19/29/582761929.db2.gz HOJLJWJBUAMVOH-LURJTMIESA-N -1 1 280.288 -0.143 20 0 CBADMM COC[C@H](C)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826148391 582761933 /nfs/dbraw/zinc/76/19/33/582761933.db2.gz HOJLJWJBUAMVOH-LURJTMIESA-N -1 1 280.288 -0.143 20 0 CBADMM COC[C@@](C)(O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826148609 582762063 /nfs/dbraw/zinc/76/20/63/582762063.db2.gz MKDYBAQOIRMSTG-GFCCVEGCSA-N -1 1 293.283 -0.092 20 0 CBADMM COC[C@H](O)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826152317 582763009 /nfs/dbraw/zinc/76/30/09/582763009.db2.gz VYLXZYQFJSLXHR-VIFPVBQESA-N -1 1 279.256 -0.688 20 0 CBADMM COC[C@H](O)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826152317 582763010 /nfs/dbraw/zinc/76/30/10/582763010.db2.gz VYLXZYQFJSLXHR-VIFPVBQESA-N -1 1 279.256 -0.688 20 0 CBADMM COCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(N)=O ZINC000826155382 582763043 /nfs/dbraw/zinc/76/30/43/582763043.db2.gz OGOMBAPXDVZCGS-SSDOTTSWSA-N -1 1 277.288 -0.436 20 0 CBADMM COCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(N)=O ZINC000826155382 582763046 /nfs/dbraw/zinc/76/30/46/582763046.db2.gz OGOMBAPXDVZCGS-SSDOTTSWSA-N -1 1 277.288 -0.436 20 0 CBADMM COCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826160587 582763499 /nfs/dbraw/zinc/76/34/99/582763499.db2.gz YCWFTSBNYCYGKV-UHFFFAOYSA-N -1 1 266.261 -0.532 20 0 CBADMM COCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826160587 582763502 /nfs/dbraw/zinc/76/35/02/582763502.db2.gz YCWFTSBNYCYGKV-UHFFFAOYSA-N -1 1 266.261 -0.532 20 0 CBADMM COc1cc(Cn2cnc(-c3nn[n-]n3)n2)ccn1 ZINC000826179914 582764236 /nfs/dbraw/zinc/76/42/36/582764236.db2.gz KPWDAKBBJHPAPV-UHFFFAOYSA-N -1 1 258.245 -0.090 20 0 CBADMM C[S@](=O)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826224678 582764922 /nfs/dbraw/zinc/76/49/22/582764922.db2.gz JYHJIKJBCMHBGM-SFHVURJKSA-N -1 1 267.318 -0.163 20 0 CBADMM C[S@](=O)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826224678 582764924 /nfs/dbraw/zinc/76/49/24/582764924.db2.gz JYHJIKJBCMHBGM-SFHVURJKSA-N -1 1 267.318 -0.163 20 0 CBADMM Cc1nn(C[C@H](C)CO)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334128 582766321 /nfs/dbraw/zinc/76/63/21/582766321.db2.gz IWRVKLDZJVEBSV-LURJTMIESA-N -1 1 264.289 -0.331 20 0 CBADMM Cc1[nH]c(=O)ccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826327906 582766720 /nfs/dbraw/zinc/76/67/20/582766720.db2.gz ZCJRAQUQXKDKAH-UHFFFAOYSA-N -1 1 286.255 -0.257 20 0 CBADMM Cc1nnc2n1C[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826337132 582767125 /nfs/dbraw/zinc/76/71/25/582767125.db2.gz CVGCRNGQQJIWHV-MRVPVSSYSA-N -1 1 298.314 -0.016 20 0 CBADMM Cc1nnc2n1C[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826337132 582767126 /nfs/dbraw/zinc/76/71/26/582767126.db2.gz CVGCRNGQQJIWHV-MRVPVSSYSA-N -1 1 298.314 -0.016 20 0 CBADMM Cc1nn(Cc2ccn(C)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334569 582767129 /nfs/dbraw/zinc/76/71/29/582767129.db2.gz ADHKVUHOYPSPMU-UHFFFAOYSA-N -1 1 286.299 -0.178 20 0 CBADMM Cc1onc(CC(=O)N2C[C@@H](C)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC000826344082 582767502 /nfs/dbraw/zinc/76/75/02/582767502.db2.gz WTEQQDLUSORNOH-MUWHJKNJSA-N -1 1 292.299 -0.455 20 0 CBADMM Cc1onc(CC(=O)N2C[C@@H](C)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000826344082 582767504 /nfs/dbraw/zinc/76/75/04/582767504.db2.gz WTEQQDLUSORNOH-MUWHJKNJSA-N -1 1 292.299 -0.455 20 0 CBADMM Cc1onc(CC(=O)N[C@@H](C)C[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826345293 582767631 /nfs/dbraw/zinc/76/76/31/582767631.db2.gz IHDUUKNXHMKHQW-NKWVEPMBSA-N -1 1 294.315 -0.019 20 0 CBADMM Cc1onc(CC(=O)N[C@@H](C)C[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826345293 582767632 /nfs/dbraw/zinc/76/76/32/582767632.db2.gz IHDUUKNXHMKHQW-NKWVEPMBSA-N -1 1 294.315 -0.019 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nccs2)c1=O ZINC000826357096 582768083 /nfs/dbraw/zinc/76/80/83/582768083.db2.gz QREJKDMUCVEQTA-UHFFFAOYSA-N -1 1 291.296 -0.768 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@]2(C)CCOC2)n1 ZINC000826356864 582768103 /nfs/dbraw/zinc/76/81/03/582768103.db2.gz ISGFWNHHPNZGSF-NSHDSACASA-N -1 1 292.303 -0.099 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@]2(C)CCOC2)n1 ZINC000826356864 582768106 /nfs/dbraw/zinc/76/81/06/582768106.db2.gz ISGFWNHHPNZGSF-NSHDSACASA-N -1 1 292.303 -0.099 20 0 CBADMM Cn1nnnc1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000826367079 582769824 /nfs/dbraw/zinc/76/98/24/582769824.db2.gz LDQZWFMPHJRSQG-UHFFFAOYSA-N -1 1 272.276 -0.560 20 0 CBADMM Cn1nnnc1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000826367079 582769826 /nfs/dbraw/zinc/76/98/26/582769826.db2.gz LDQZWFMPHJRSQG-UHFFFAOYSA-N -1 1 272.276 -0.560 20 0 CBADMM NC(=O)CCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826390708 582770586 /nfs/dbraw/zinc/77/05/86/582770586.db2.gz JQDQSUVJJTZVTQ-UHFFFAOYSA-N -1 1 289.299 -0.353 20 0 CBADMM NC(=O)CCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826390708 582770589 /nfs/dbraw/zinc/77/05/89/582770589.db2.gz JQDQSUVJJTZVTQ-UHFFFAOYSA-N -1 1 289.299 -0.353 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826395362 582771761 /nfs/dbraw/zinc/77/17/61/582771761.db2.gz XYUSMKJBRQKNTJ-ARDNSNSESA-N -1 1 275.272 -0.289 20 0 CBADMM O=C(Cn1cnnn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826425536 582772779 /nfs/dbraw/zinc/77/27/79/582772779.db2.gz ILEOWXGTXZERKR-UHFFFAOYSA-N -1 1 287.243 -0.803 20 0 CBADMM O=C(NC[C@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826434326 582773252 /nfs/dbraw/zinc/77/32/52/582773252.db2.gz JVEAWYOJJFRRAB-GFCCVEGCSA-N -1 1 290.283 -0.857 20 0 CBADMM O=C(NC[C@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826434326 582773254 /nfs/dbraw/zinc/77/32/54/582773254.db2.gz JVEAWYOJJFRRAB-GFCCVEGCSA-N -1 1 290.283 -0.857 20 0 CBADMM O=C1N[C@H](c2ccc(-c3nnn[n-]3)o2)N2CCOC[C@H]12 ZINC000826482047 582776492 /nfs/dbraw/zinc/77/64/92/582776492.db2.gz QIGBHKAQIXXTOH-LDWIPMOCSA-N -1 1 276.256 -0.711 20 0 CBADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)o2)N2CCOC[C@H]12 ZINC000826482047 582776493 /nfs/dbraw/zinc/77/64/93/582776493.db2.gz QIGBHKAQIXXTOH-LDWIPMOCSA-N -1 1 276.256 -0.711 20 0 CBADMM O=C1OCCN1CCCn1ccnc1-c1nnn[n-]1 ZINC000826483359 582776759 /nfs/dbraw/zinc/77/67/59/582776759.db2.gz KXJDHZZDZCMOME-UHFFFAOYSA-N -1 1 263.261 -0.095 20 0 CBADMM O=C1OCCN1CCCn1ccnc1-c1nn[n-]n1 ZINC000826483359 582776763 /nfs/dbraw/zinc/77/67/63/582776763.db2.gz KXJDHZZDZCMOME-UHFFFAOYSA-N -1 1 263.261 -0.095 20 0 CBADMM OC[C@H]1CSCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826508744 582778047 /nfs/dbraw/zinc/77/80/47/582778047.db2.gz ALTHOWXMBLQDOV-ZETCQYMHSA-N -1 1 279.329 -0.429 20 0 CBADMM OC[C@H]1CSCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826508744 582778050 /nfs/dbraw/zinc/77/80/50/582778050.db2.gz ALTHOWXMBLQDOV-ZETCQYMHSA-N -1 1 279.329 -0.429 20 0 CBADMM OCCn1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826510173 582778892 /nfs/dbraw/zinc/77/88/92/582778892.db2.gz BBGOOXPYDDWVGL-UHFFFAOYSA-N -1 1 273.260 -0.411 20 0 CBADMM OCCn1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826510173 582778894 /nfs/dbraw/zinc/77/88/94/582778894.db2.gz BBGOOXPYDDWVGL-UHFFFAOYSA-N -1 1 273.260 -0.411 20 0 CBADMM c1cc(-c2nnn[n-]2)nnc1NCc1nnnn1C1CC1 ZINC000826514797 582779389 /nfs/dbraw/zinc/77/93/89/582779389.db2.gz CZFKOUKFTUMXIX-UHFFFAOYSA-N -1 1 285.275 -0.410 20 0 CBADMM c1cc(-c2nn[n-]n2)nnc1NCc1nnnn1C1CC1 ZINC000826514797 582779392 /nfs/dbraw/zinc/77/93/92/582779392.db2.gz CZFKOUKFTUMXIX-UHFFFAOYSA-N -1 1 285.275 -0.410 20 0 CBADMM c1cnn(C2CN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826526402 582779776 /nfs/dbraw/zinc/77/97/76/582779776.db2.gz XDSNNTVQGPAQHO-UHFFFAOYSA-N -1 1 269.272 -0.086 20 0 CBADMM c1cnn(C2CN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826526402 582779780 /nfs/dbraw/zinc/77/97/80/582779780.db2.gz XDSNNTVQGPAQHO-UHFFFAOYSA-N -1 1 269.272 -0.086 20 0 CBADMM c1ncn(CCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826526872 582779876 /nfs/dbraw/zinc/77/98/76/582779876.db2.gz 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CSCC[C@H](NC(=O)c1nccnc1N)c1nn[n-]n1 ZINC001412364826 904537631 /nfs/dbraw/zinc/53/76/31/904537631.db2.gz DCXNOLBALPQGJV-LURJTMIESA-N -1 1 294.344 -0.204 20 0 CBADMM CC(=O)NC[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC001412472913 904585952 /nfs/dbraw/zinc/58/59/52/904585952.db2.gz PPPYZFDMKMEMFO-SNVBAGLBSA-N -1 1 280.332 -0.493 20 0 CBADMM CC[C@@H](CO)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001412484817 904587816 /nfs/dbraw/zinc/58/78/16/904587816.db2.gz IIOYZFAORRJECY-QMMMGPOBSA-N -1 1 281.312 -0.110 20 0 CBADMM NC(=O)c1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)o1 ZINC001412484627 904589011 /nfs/dbraw/zinc/58/90/11/904589011.db2.gz CFGNWVUJMLZXBH-ZCFIWIBFSA-N -1 1 276.256 -0.479 20 0 CBADMM CNC(=O)[C@@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001412531853 904611480 /nfs/dbraw/zinc/61/14/80/904611480.db2.gz PZMRLUIXGHHQFQ-SECBINFHSA-N -1 1 280.332 -0.493 20 0 CBADMM Cn1nnnc1C1CCN(C(=O)c2cnncc2[O-])CC1 ZINC001412551241 904619794 /nfs/dbraw/zinc/61/97/94/904619794.db2.gz SZGGJBJMODLTCN-UHFFFAOYSA-N -1 1 289.299 -0.275 20 0 CBADMM CCc1nncn1CCNC(=O)CCCc1nn[n-]n1 ZINC001412575998 904630149 /nfs/dbraw/zinc/63/01/49/904630149.db2.gz BJPBZDVIGUWXPN-UHFFFAOYSA-N -1 1 278.320 -0.507 20 0 CBADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001412581875 904630296 /nfs/dbraw/zinc/63/02/96/904630296.db2.gz YDBPCBCJSNHDQQ-POBXSPIYSA-N -1 1 271.302 -0.506 20 0 CBADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001412581875 904630301 /nfs/dbraw/zinc/63/03/01/904630301.db2.gz YDBPCBCJSNHDQQ-POBXSPIYSA-N -1 1 271.302 -0.506 20 0 CBADMM COC(=O)[C@H]1CC12CCN(C(=O)CCc1nn[n-]n1)CC2 ZINC001412575145 904630399 /nfs/dbraw/zinc/63/03/99/904630399.db2.gz ZRPYMYDACRRVEH-SECBINFHSA-N -1 1 293.327 -0.066 20 0 CBADMM C[C@H](CC[S@](C)=O)NC(=O)CCCc1nn[n-]n1 ZINC001412599670 904635631 /nfs/dbraw/zinc/63/56/31/904635631.db2.gz WOTRZGAGKGEUBR-CVJBHZAOSA-N -1 1 273.362 -0.204 20 0 CBADMM COC[C@@H](NC(=O)COCc1cccnc1)c1nn[n-]n1 ZINC001412598788 904636558 /nfs/dbraw/zinc/63/65/58/904636558.db2.gz BQIHEJNYHZZKFA-SNVBAGLBSA-N -1 1 292.299 -0.385 20 0 CBADMM C[C@@H](CC[S@](C)=O)NC(=O)CCCc1nn[n-]n1 ZINC001412599667 904636770 /nfs/dbraw/zinc/63/67/70/904636770.db2.gz WOTRZGAGKGEUBR-ASCAZGACSA-N -1 1 273.362 -0.204 20 0 CBADMM CCn1nc(C)c(C(=O)N[C@@H](COC)c2nn[n-]n2)n1 ZINC001412611556 904638154 /nfs/dbraw/zinc/63/81/54/904638154.db2.gz RVYZVUDLVRYUJE-ZETCQYMHSA-N -1 1 280.292 -0.763 20 0 CBADMM CCn1nc(C)c(C(=O)N[C@H](COC)c2nn[n-]n2)n1 ZINC001412611550 904638205 /nfs/dbraw/zinc/63/82/05/904638205.db2.gz RVYZVUDLVRYUJE-SSDOTTSWSA-N -1 1 280.292 -0.763 20 0 CBADMM COC[C@@H](NC(=O)CCCn1cncn1)c1nn[n-]n1 ZINC001412606179 904638622 /nfs/dbraw/zinc/63/86/22/904638622.db2.gz MLPXYOBXXDQFEL-MRVPVSSYSA-N -1 1 280.292 -0.925 20 0 CBADMM O=C(CCCc1nn[n-]n1)NC[C@@H](O)COCC1CC1 ZINC001412660697 904656021 /nfs/dbraw/zinc/65/60/21/904656021.db2.gz ITSRUVCRVKPANI-SNVBAGLBSA-N -1 1 283.332 -0.574 20 0 CBADMM O=C(CCc1nn[n-]n1)N[C@H]1c2ccccc2C[C@H]1O ZINC001412666943 904658889 /nfs/dbraw/zinc/65/88/89/904658889.db2.gz UUUZSDHFCHAKGR-MFKMUULPSA-N -1 1 273.296 -0.093 20 0 CBADMM CC[C@](C)(CO)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001412769697 904712938 /nfs/dbraw/zinc/71/29/38/904712938.db2.gz CAFDDYZXKRLYOW-LLVKDONJSA-N -1 1 271.273 -0.213 20 0 CBADMM C[C@H](CN(C)C(=O)c1cn(C)ccc1=O)c1nn[n-]n1 ZINC001412799557 904731604 /nfs/dbraw/zinc/73/16/04/904731604.db2.gz VYZLIJBNIVMKKL-MRVPVSSYSA-N -1 1 276.300 -0.226 20 0 CBADMM O=C(CCCF)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001412814381 904739217 /nfs/dbraw/zinc/73/92/17/904739217.db2.gz NVPWTBRQHGXPIQ-SECBINFHSA-N -1 1 299.302 -0.256 20 0 CBADMM CCOC(=O)c1nc(CNC(=O)c2ccn(C)n2)n[n-]1 ZINC001412834411 904747877 /nfs/dbraw/zinc/74/78/77/904747877.db2.gz BXQWVTQMJVFQSM-UHFFFAOYSA-N -1 1 278.272 -0.355 20 0 CBADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccn(C)n2)n1 ZINC001412834411 904747881 /nfs/dbraw/zinc/74/78/81/904747881.db2.gz BXQWVTQMJVFQSM-UHFFFAOYSA-N -1 1 278.272 -0.355 20 0 CBADMM O=C(N1CCC[C@@H](c2nn[n-]n2)C1)C1(O)CCOCC1 ZINC001412850937 904764560 /nfs/dbraw/zinc/76/45/60/904764560.db2.gz GKEYQIMELAWQKY-SECBINFHSA-N -1 1 281.316 -0.553 20 0 CBADMM O=C(Cc1ncn[nH]1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001412879753 904777927 /nfs/dbraw/zinc/77/79/27/904777927.db2.gz AKNBTTMIGGKDMF-SSDOTTSWSA-N -1 1 277.288 -0.423 20 0 CBADMM O=C(C1CCOCC1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001412899850 904788410 /nfs/dbraw/zinc/78/84/10/904788410.db2.gz NEQVHHGCCGGTNB-UHFFFAOYSA-N -1 1 281.316 -0.564 20 0 CBADMM O=C(c1ccns1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001412895760 904789113 /nfs/dbraw/zinc/78/91/13/904789113.db2.gz DYCAAOZVKNSOTA-UHFFFAOYSA-N -1 1 280.313 -0.220 20 0 CBADMM CN(C)C(=O)O[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001412994698 904854588 /nfs/dbraw/zinc/85/45/88/904854588.db2.gz XOOADBPCHRMTNU-VIFPVBQESA-N -1 1 283.332 -0.229 20 0 CBADMM COC(=O)[C@@](C)(CO)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001413013048 904865386 /nfs/dbraw/zinc/86/53/86/904865386.db2.gz XDXNDRZGDYFMHN-CYBMUJFWSA-N -1 1 297.311 -0.732 20 0 CBADMM CC[C@@H](CO)N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001413021530 904878839 /nfs/dbraw/zinc/87/88/39/904878839.db2.gz MZXJAPHPGPWUGH-LURJTMIESA-N -1 1 271.273 -0.261 20 0 CBADMM NS(=O)(=O)C1CN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC001413086093 904913188 /nfs/dbraw/zinc/91/31/88/904913188.db2.gz PXCRHTICZSJCKW-UHFFFAOYSA-N -1 1 274.273 -0.356 20 0 CBADMM CCOC(=O)C1(CC(=O)N(C)c2nn[n-]n2)CCOCC1 ZINC001461559362 914855953 /nfs/dbraw/zinc/85/59/53/914855953.db2.gz NLIGXWANJHQUOO-UHFFFAOYSA-N -1 1 297.315 -0.088 20 0 CBADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001413140743 904930537 /nfs/dbraw/zinc/93/05/37/904930537.db2.gz KQOIZPMGJZTYOM-MWLCHTKSSA-N -1 1 293.323 -0.125 20 0 CBADMM CN(C(=O)C1CCC(S(C)(=O)=O)CC1)c1nn[n-]n1 ZINC001461558900 914857893 /nfs/dbraw/zinc/85/78/93/914857893.db2.gz MRRIFTNPTFPCIE-UHFFFAOYSA-N -1 1 287.345 -0.234 20 0 CBADMM CC(C)C(=O)N(C)C[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001413223803 904965730 /nfs/dbraw/zinc/96/57/30/904965730.db2.gz ZCCLIGFGOQWDHX-JTQLQIEISA-N -1 1 295.339 -0.008 20 0 CBADMM O=C(CCc1nn[n-]n1)NCc1cn(C2CCC2)nn1 ZINC001413225019 904970856 /nfs/dbraw/zinc/97/08/56/904970856.db2.gz WSHNGQQVJOOVRP-UHFFFAOYSA-N -1 1 276.304 -0.235 20 0 CBADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CNC(C)=O)n[n-]1 ZINC001413268542 904984992 /nfs/dbraw/zinc/98/49/92/904984992.db2.gz HJRZHCVOKONGDO-ZCFIWIBFSA-N -1 1 283.288 -0.705 20 0 CBADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CNC(C)=O)[n-]1 ZINC001413268542 904985014 /nfs/dbraw/zinc/98/50/14/904985014.db2.gz HJRZHCVOKONGDO-ZCFIWIBFSA-N -1 1 283.288 -0.705 20 0 CBADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CNC(C)=O)n1 ZINC001413268542 904985029 /nfs/dbraw/zinc/98/50/29/904985029.db2.gz HJRZHCVOKONGDO-ZCFIWIBFSA-N -1 1 283.288 -0.705 20 0 CBADMM COC(=O)c1cc(S(=O)(=O)N2CCC(=O)CC2)[n-]n1 ZINC001413275721 904989763 /nfs/dbraw/zinc/98/97/63/904989763.db2.gz MLPODCLDTCQONZ-UHFFFAOYSA-N -1 1 287.297 -0.450 20 0 CBADMM COC(=O)c1cc(S(=O)(=O)N2CCC(=O)CC2)n[n-]1 ZINC001413275721 904989766 /nfs/dbraw/zinc/98/97/66/904989766.db2.gz MLPODCLDTCQONZ-UHFFFAOYSA-N -1 1 287.297 -0.450 20 0 CBADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCOC1 ZINC001413281462 904992868 /nfs/dbraw/zinc/99/28/68/904992868.db2.gz QNYWMMPAAANPCW-SSDOTTSWSA-N -1 1 289.313 -0.489 20 0 CBADMM CN(C(=O)CCOc1ccc(C(N)=O)cc1)c1nn[n-]n1 ZINC001413325483 905016919 /nfs/dbraw/zinc/01/69/19/905016919.db2.gz IKXOPKFIRPWOJZ-UHFFFAOYSA-N -1 1 290.283 -0.270 20 0 CBADMM CC(C)(C)C(=O)NCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001413330372 905017740 /nfs/dbraw/zinc/01/77/40/905017740.db2.gz ZCOXOGJFRCPQKM-UHFFFAOYSA-N -1 1 282.300 -0.334 20 0 CBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCOC2)[n-]n1 ZINC001413360013 905036447 /nfs/dbraw/zinc/03/64/47/905036447.db2.gz OHZYVRVGDUAZLE-ZETCQYMHSA-N -1 1 289.313 -0.346 20 0 CBADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCOC2)n[n-]1 ZINC001413360013 905036466 /nfs/dbraw/zinc/03/64/66/905036466.db2.gz OHZYVRVGDUAZLE-ZETCQYMHSA-N -1 1 289.313 -0.346 20 0 CBADMM CC[C@H](CNS(=O)(=O)c1cc(C(=O)OC)n[n-]1)OC ZINC001413361394 905037505 /nfs/dbraw/zinc/03/75/05/905037505.db2.gz RHMJFXVKQJRCEF-SSDOTTSWSA-N -1 1 291.329 -0.100 20 0 CBADMM CC[C@H](CNS(=O)(=O)c1cc(C(=O)OC)[n-]n1)OC ZINC001413361394 905037523 /nfs/dbraw/zinc/03/75/23/905037523.db2.gz RHMJFXVKQJRCEF-SSDOTTSWSA-N -1 1 291.329 -0.100 20 0 CBADMM CC[C@@H]([N-]S(=O)(=O)c1nncn1C)c1noc(C)n1 ZINC001413373202 905047034 /nfs/dbraw/zinc/04/70/34/905047034.db2.gz JSIWFKNUKAXFKF-SSDOTTSWSA-N -1 1 286.317 -0.064 20 0 CBADMM O=C(CCn1cccn1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001413390627 905052376 /nfs/dbraw/zinc/05/23/76/905052376.db2.gz YFKFIKVLMPJBEQ-VIFPVBQESA-N -1 1 277.288 -0.614 20 0 CBADMM O=C(C[C@@H]1COC(=O)C1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001413385563 905053729 /nfs/dbraw/zinc/05/37/29/905053729.db2.gz GCGXBBBIYBJCQJ-YUMQZZPRSA-N -1 1 281.272 -0.947 20 0 CBADMM CCNC(=O)CCCC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001413389431 905054522 /nfs/dbraw/zinc/05/45/22/905054522.db2.gz UJRXKXOVYDGYAR-VIFPVBQESA-N -1 1 296.331 -0.594 20 0 CBADMM Cc1cc(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)sn1 ZINC001413390119 905055141 /nfs/dbraw/zinc/05/51/41/905055141.db2.gz UWMAVUUPGSLSSR-VIFPVBQESA-N -1 1 291.354 -0.626 20 0 CBADMM C[C@@](O)(CC(=O)N1CCOC[C@H]1c1nn[n-]n1)C1CC1 ZINC001413387698 905055918 /nfs/dbraw/zinc/05/59/18/905055918.db2.gz OFYAHLRCQIQVAF-JOYOIKCWSA-N -1 1 281.316 -0.349 20 0 CBADMM COC[C@@](C)(CO)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001413403402 905060331 /nfs/dbraw/zinc/06/03/31/905060331.db2.gz DLAGXSUCZWMXBD-LLVKDONJSA-N -1 1 287.272 -0.976 20 0 CBADMM CC(C)[C@H](NC(N)=O)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001413427494 905074146 /nfs/dbraw/zinc/07/41/46/905074146.db2.gz QJVJZGQHYUBKGH-VIFPVBQESA-N -1 1 295.347 -0.401 20 0 CBADMM COCCn1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)n1 ZINC001413474368 905094936 /nfs/dbraw/zinc/09/49/36/905094936.db2.gz YGKCFCILWSJPNQ-SECBINFHSA-N -1 1 291.315 -0.328 20 0 CBADMM O=C(CCc1nn[n-]n1)NC[C@H]1CCN(CC(F)F)C1 ZINC001413471436 905096599 /nfs/dbraw/zinc/09/65/99/905096599.db2.gz 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CC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC000825220960 582729431 /nfs/dbraw/zinc/72/94/31/582729431.db2.gz XORRYDXSSSMAIX-HTQZYQBOSA-N -1 1 261.289 -0.136 20 0 CBADMM CC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC000825220960 582729434 /nfs/dbraw/zinc/72/94/34/582729434.db2.gz XORRYDXSSSMAIX-HTQZYQBOSA-N -1 1 261.289 -0.136 20 0 CBADMM CCC[C@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825247378 582729765 /nfs/dbraw/zinc/72/97/65/582729765.db2.gz CMIQEYSQOIZSDP-VIFPVBQESA-N -1 1 288.315 -0.238 20 0 CBADMM CCC[C@H]1C(=O)NCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825247378 582729769 /nfs/dbraw/zinc/72/97/69/582729769.db2.gz CMIQEYSQOIZSDP-VIFPVBQESA-N -1 1 288.315 -0.238 20 0 CBADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000825255343 582729963 /nfs/dbraw/zinc/72/99/63/582729963.db2.gz QECLXGDPZAUITC-XHNCKOQMSA-N -1 1 286.332 -0.062 20 0 CBADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000825263518 582730204 /nfs/dbraw/zinc/73/02/04/582730204.db2.gz 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/nfs/dbraw/zinc/74/34/82/582743482.db2.gz FHYYGHDVYBMZDX-UHFFFAOYSA-N -1 1 297.344 -0.472 20 0 CBADMM CCS(=O)(=O)NCCCn1ccnc1-c1nnn[n-]1 ZINC000825663389 582743554 /nfs/dbraw/zinc/74/35/54/582743554.db2.gz MYXPGOQUIBOBRX-UHFFFAOYSA-N -1 1 285.333 -0.607 20 0 CBADMM CCS(=O)(=O)NCCCn1ccnc1-c1nn[n-]n1 ZINC000825663389 582743557 /nfs/dbraw/zinc/74/35/57/582743557.db2.gz MYXPGOQUIBOBRX-UHFFFAOYSA-N -1 1 285.333 -0.607 20 0 CBADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCSC1 ZINC000825820573 582747891 /nfs/dbraw/zinc/74/78/91/582747891.db2.gz LCHSGWHFTDFHER-ZETCQYMHSA-N -1 1 294.344 -0.578 20 0 CBADMM CC(=O)N[C@H](C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000825853667 582748816 /nfs/dbraw/zinc/74/88/16/582748816.db2.gz DXYBWIRWUFTBAI-VHSXEESVSA-N -1 1 285.344 -0.482 20 0 CBADMM C[C@H]1CCCN(CC(=O)N2CCNC2=O)[C@H]1CNC(=O)[O-] ZINC000825918081 582750627 /nfs/dbraw/zinc/75/06/27/582750627.db2.gz BYPXCDJMSRYBMG-UWVGGRQHSA-N -1 1 298.343 -0.094 20 0 CBADMM CN(CCn1cccn1)c1ccc(-c2nnn[n-]2)nn1 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Cc1nn(Cc2nccc(N)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334807 582767005 /nfs/dbraw/zinc/76/70/05/582767005.db2.gz KJTKDMZQAWTXMO-UHFFFAOYSA-N -1 1 299.298 -0.539 20 0 CBADMM Cc1onc(CC(=O)N2CCOC[C@H]2C)c1-c1nnn[n-]1 ZINC000826345874 582767336 /nfs/dbraw/zinc/76/73/36/582767336.db2.gz WROFPRCAZWXUCY-SSDOTTSWSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1onc(CC(=O)N2CCOC[C@H]2C)c1-c1nn[n-]n1 ZINC000826345874 582767339 /nfs/dbraw/zinc/76/73/39/582767339.db2.gz WROFPRCAZWXUCY-SSDOTTSWSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1onc(CC(=O)N[C@@H](C)[C@@H](C)CO)c1-c1nnn[n-]1 ZINC000826345399 582767473 /nfs/dbraw/zinc/76/74/73/582767473.db2.gz KLHVQGCBBWJBRP-BQBZGAKWSA-N -1 1 294.315 -0.161 20 0 CBADMM Cc1onc(CC(=O)N[C@@H](C)[C@@H](C)CO)c1-c1nn[n-]n1 ZINC000826345399 582767476 /nfs/dbraw/zinc/76/74/76/582767476.db2.gz KLHVQGCBBWJBRP-BQBZGAKWSA-N -1 1 294.315 -0.161 20 0 CBADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826345875 582767714 /nfs/dbraw/zinc/76/77/14/582767714.db2.gz WROFPRCAZWXUCY-ZETCQYMHSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826345875 582767718 /nfs/dbraw/zinc/76/77/18/582767718.db2.gz WROFPRCAZWXUCY-ZETCQYMHSA-N -1 1 292.299 -0.047 20 0 CBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC2(C)CCC2)n(C)c1=O ZINC000826355569 582767878 /nfs/dbraw/zinc/76/78/78/582767878.db2.gz FWHCBHXDNPFHKW-UHFFFAOYSA-N -1 1 291.315 -0.381 20 0 CBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC=CCC2)n(C)c1=O ZINC000826355731 582768184 /nfs/dbraw/zinc/76/81/84/582768184.db2.gz LBRQPHKMCMESHM-UHFFFAOYSA-N -1 1 289.299 -0.970 20 0 CBADMM Cn1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)cn1 ZINC000826358179 582768725 /nfs/dbraw/zinc/76/87/25/582768725.db2.gz JHTIKLVOFDZEAR-UHFFFAOYSA-N -1 1 258.245 -0.320 20 0 CBADMM Cn1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)cn1 ZINC000826358179 582768727 /nfs/dbraw/zinc/76/87/27/582768727.db2.gz JHTIKLVOFDZEAR-UHFFFAOYSA-N -1 1 258.245 -0.320 20 0 CBADMM Cn1nnnc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826366928 582769376 /nfs/dbraw/zinc/76/93/76/582769376.db2.gz DQJITWMPCMDPGT-UHFFFAOYSA-N -1 1 262.262 -0.669 20 0 CBADMM Cn1nnnc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826366928 582769377 /nfs/dbraw/zinc/76/93/77/582769377.db2.gz DQJITWMPCMDPGT-UHFFFAOYSA-N -1 1 262.262 -0.669 20 0 CBADMM Cn1cnc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000826364940 582769388 /nfs/dbraw/zinc/76/93/88/582769388.db2.gz SLFRJMVHAAQERA-UHFFFAOYSA-N -1 1 259.233 -0.933 20 0 CBADMM NC(=O)[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)O1 ZINC000826389895 582770887 /nfs/dbraw/zinc/77/08/87/582770887.db2.gz LDXCLVFXEIMJPG-HTRCEHHLSA-N -1 1 290.287 -0.899 20 0 CBADMM NC(=O)[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)O1 ZINC000826389895 582770889 /nfs/dbraw/zinc/77/08/89/582770889.db2.gz LDXCLVFXEIMJPG-HTRCEHHLSA-N -1 1 290.287 -0.899 20 0 CBADMM NS(=O)(=O)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826394478 582771813 /nfs/dbraw/zinc/77/18/13/582771813.db2.gz LMCGFQXGTFYQOV-SSDOTTSWSA-N -1 1 295.328 -0.871 20 0 CBADMM NS(=O)(=O)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826394478 582771815 /nfs/dbraw/zinc/77/18/15/582771815.db2.gz LMCGFQXGTFYQOV-SSDOTTSWSA-N -1 1 295.328 -0.871 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000826395010 582771821 /nfs/dbraw/zinc/77/18/21/582771821.db2.gz JJEHSIYXUYARIG-LURJTMIESA-N -1 1 299.298 -0.186 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C(F)(F)C1(O)CCC1 ZINC000826395151 582771832 /nfs/dbraw/zinc/77/18/32/582771832.db2.gz OSBMTRVTFGCUMT-UHFFFAOYSA-N -1 1 299.241 -0.164 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(F)(F)C1 ZINC000826425321 582772940 /nfs/dbraw/zinc/77/29/40/582772940.db2.gz YBRGKAMLTDXESO-UHFFFAOYSA-N -1 1 284.230 -0.674 20 0 CBADMM O=C(NC[C@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826434809 582774308 /nfs/dbraw/zinc/77/43/08/582774308.db2.gz YHKSYBOIMDVKIZ-LLVKDONJSA-N -1 1 295.324 -0.191 20 0 CBADMM O=C(NC[C@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826434809 582774310 /nfs/dbraw/zinc/77/43/10/582774310.db2.gz YHKSYBOIMDVKIZ-LLVKDONJSA-N -1 1 295.324 -0.191 20 0 CBADMM O=C(NCCn1ccnn1)c1ccc(-c2nnn[n-]2)s1 ZINC000826440256 582774492 /nfs/dbraw/zinc/77/44/92/582774492.db2.gz GDKGSOQTKDIPKK-UHFFFAOYSA-N -1 1 290.312 -0.050 20 0 CBADMM O=C(NCCn1ccnn1)c1ccc(-c2nn[n-]n2)s1 ZINC000826440256 582774495 /nfs/dbraw/zinc/77/44/95/582774495.db2.gz GDKGSOQTKDIPKK-UHFFFAOYSA-N -1 1 290.312 -0.050 20 0 CBADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(=O)NC1CC1 ZINC000826450964 582774594 /nfs/dbraw/zinc/77/45/94/582774594.db2.gz KKZMXNZTSMFCQW-UHFFFAOYSA-N -1 1 288.267 -0.211 20 0 CBADMM O=C1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C1CC1 ZINC000826479360 582775751 /nfs/dbraw/zinc/77/57/51/582775751.db2.gz XBAYYYGITFRSFT-SSDOTTSWSA-N -1 1 286.299 -0.168 20 0 CBADMM O=C1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C1CC1 ZINC000826479360 582775754 /nfs/dbraw/zinc/77/57/54/582775754.db2.gz XBAYYYGITFRSFT-SSDOTTSWSA-N -1 1 286.299 -0.168 20 0 CBADMM O=C1N[C@@H](c2ccc(-c3nnn[n-]3)o2)N2CCOC[C@@H]12 ZINC000826482049 582776167 /nfs/dbraw/zinc/77/61/67/582776167.db2.gz QIGBHKAQIXXTOH-QUBYGPBYSA-N -1 1 276.256 -0.711 20 0 CBADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)o2)N2CCOC[C@@H]12 ZINC000826482049 582776172 /nfs/dbraw/zinc/77/61/72/582776172.db2.gz QIGBHKAQIXXTOH-QUBYGPBYSA-N -1 1 276.256 -0.711 20 0 CBADMM O[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCSC1 ZINC000826505939 582777569 /nfs/dbraw/zinc/77/75/69/582777569.db2.gz ISYGHPBCQOCEHU-JTQLQIEISA-N -1 1 279.329 -0.063 20 0 CBADMM O[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCSC1 ZINC000826505939 582777571 /nfs/dbraw/zinc/77/75/71/582777571.db2.gz ISYGHPBCQOCEHU-JTQLQIEISA-N -1 1 279.329 -0.063 20 0 CBADMM O[C@@H](COCc1ccco1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826503802 582777612 /nfs/dbraw/zinc/77/76/12/582777612.db2.gz GTNMYQCTZHFGLO-MRVPVSSYSA-N -1 1 291.271 -0.371 20 0 CBADMM OCC1(CNc2cccc(-c3nnn[n-]3)n2)COC1 ZINC000826508246 582778223 /nfs/dbraw/zinc/77/82/23/582778223.db2.gz JQHQYDWHTCORRI-UHFFFAOYSA-N -1 1 262.273 -0.318 20 0 CBADMM OCC1(CNc2cccc(-c3nn[n-]n3)n2)COC1 ZINC000826508246 582778228 /nfs/dbraw/zinc/77/82/28/582778228.db2.gz JQHQYDWHTCORRI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/37/73/37/893377337.db2.gz GRZRBSBOBMANRG-ZETCQYMHSA-N -1 1 298.299 -0.203 20 0 CBADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)CC(=O)OC)n1 ZINC001363116794 893377352 /nfs/dbraw/zinc/37/73/52/893377352.db2.gz GRZRBSBOBMANRG-ZETCQYMHSA-N -1 1 298.299 -0.203 20 0 CBADMM CSCC[C@H](O)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363148931 893406536 /nfs/dbraw/zinc/40/65/36/893406536.db2.gz FSUVWFVCBQEWHA-LURJTMIESA-N -1 1 273.314 -0.382 20 0 CBADMM CCOC(=O)NCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001363196272 893447141 /nfs/dbraw/zinc/44/71/41/893447141.db2.gz OXOQTITUGVISMX-UHFFFAOYSA-N -1 1 282.304 -0.348 20 0 CBADMM CCn1nncc1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001363203465 893453421 /nfs/dbraw/zinc/45/34/21/893453421.db2.gz IXBGLNHWOGKGPL-QMMMGPOBSA-N -1 1 278.276 -0.975 20 0 CBADMM CCn1nccc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001363203516 893455482 /nfs/dbraw/zinc/45/54/82/893455482.db2.gz JLEBHXQTSUDBNH-SECBINFHSA-N -1 1 277.288 -0.370 20 0 CBADMM O=C(CC1OCCCO1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001363204003 893456216 /nfs/dbraw/zinc/45/62/16/893456216.db2.gz MTQSHHMIGYKTDP-QMMMGPOBSA-N -1 1 283.288 -0.747 20 0 CBADMM CCNC(=O)CNC(=O)c1cnc(SC)[n-]c1=O ZINC001363218557 893468831 /nfs/dbraw/zinc/46/88/31/893468831.db2.gz MJRGINZYGKGQKJ-UHFFFAOYSA-N -1 1 270.314 -0.230 20 0 CBADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CCC(=O)N2)n[n-]1 ZINC001363229671 893480704 /nfs/dbraw/zinc/48/07/04/893480704.db2.gz CHZHTFWOPMNCLD-NKWVEPMBSA-N -1 1 295.299 -0.563 20 0 CBADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CCC(=O)N2)[n-]1 ZINC001363229671 893480705 /nfs/dbraw/zinc/48/07/05/893480705.db2.gz CHZHTFWOPMNCLD-NKWVEPMBSA-N -1 1 295.299 -0.563 20 0 CBADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CCC(=O)N2)n1 ZINC001363229671 893480708 /nfs/dbraw/zinc/48/07/08/893480708.db2.gz CHZHTFWOPMNCLD-NKWVEPMBSA-N -1 1 295.299 -0.563 20 0 CBADMM C[C@H]1C[C@H](NC(=O)CCCc2nn[n-]n2)c2ncnn21 ZINC001363241155 893485462 /nfs/dbraw/zinc/48/54/62/893485462.db2.gz NCBXBRUNCHKTCQ-YUMQZZPRSA-N -1 1 276.304 -0.064 20 0 CBADMM NC(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cn1 ZINC001363277104 893519601 /nfs/dbraw/zinc/51/96/01/893519601.db2.gz KDKYNXBHWTZUCI-UHFFFAOYSA-N -1 1 287.283 -0.497 20 0 CBADMM O=C([C@@H](O)c1ccccn1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001363305713 893564779 /nfs/dbraw/zinc/56/47/79/893564779.db2.gz FGJAGBKQRRZCOO-SCZZXKLOSA-N -1 1 274.284 -0.356 20 0 CBADMM Cc1ncc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c(N)n1 ZINC001363315042 893572487 /nfs/dbraw/zinc/57/24/87/893572487.db2.gz GSLCFRNGZYTIPQ-ZETCQYMHSA-N -1 1 274.288 -0.490 20 0 CBADMM COC[C@@H](OC)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001363355925 893611332 /nfs/dbraw/zinc/61/13/32/893611332.db2.gz NIAMFWQSGXPOST-SECBINFHSA-N -1 1 271.321 -0.154 20 0 CBADMM Cn1cc(CCC(=O)NC2(c3nn[n-]n3)CCC2)nn1 ZINC001363375596 893623442 /nfs/dbraw/zinc/62/34/42/893623442.db2.gz AZVIRUHQOQGFOG-UHFFFAOYSA-N -1 1 276.304 -0.544 20 0 CBADMM CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001363408524 893654603 /nfs/dbraw/zinc/65/46/03/893654603.db2.gz NMJNSUGHXNYNGU-RKDXNWHRSA-N -1 1 282.304 -0.986 20 0 CBADMM COC[C@H](NC(=O)c1cc(N(C)C)ccn1)c1nn[n-]n1 ZINC001363412218 893658052 /nfs/dbraw/zinc/65/80/52/893658052.db2.gz ICPQIUCRXTVTDZ-JTQLQIEISA-N -1 1 291.315 -0.222 20 0 CBADMM O=C([C@H]1CCNC(=O)CC1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001363412004 893658245 /nfs/dbraw/zinc/65/82/45/893658245.db2.gz UFWDRXRDIUSATF-RKDXNWHRSA-N -1 1 294.315 -0.984 20 0 CBADMM NC(=O)[C@@H](F)C1CCN(C(=O)c2cnncc2[O-])CC1 ZINC001363414285 893658291 /nfs/dbraw/zinc/65/82/91/893658291.db2.gz WUVMKFZGYRMVMA-JTQLQIEISA-N -1 1 282.275 -0.142 20 0 CBADMM CCOc1cc(C(=O)N[C@H](COC)c2nn[n-]n2)on1 ZINC001363418086 893661441 /nfs/dbraw/zinc/66/14/41/893661441.db2.gz SAPJYVKCZRIDGL-ZCFIWIBFSA-N -1 1 282.260 -0.296 20 0 CBADMM COC[C@H](NC(=O)CCCC(=O)OC)c1nn[n-]n1 ZINC001363416708 893663370 /nfs/dbraw/zinc/66/33/70/893663370.db2.gz QGHJYUKVVWBXFO-ZETCQYMHSA-N -1 1 271.277 -0.653 20 0 CBADMM COC[C@H](NC(=O)CCc1ccnc(C)n1)c1nn[n-]n1 ZINC001363416955 893663665 /nfs/dbraw/zinc/66/36/65/893663665.db2.gz RFMJCNUZFLTVHV-JTQLQIEISA-N -1 1 291.315 -0.265 20 0 CBADMM COC[C@@H](NC(=O)CCCC(=O)OC)c1nn[n-]n1 ZINC001363416704 893663799 /nfs/dbraw/zinc/66/37/99/893663799.db2.gz QGHJYUKVVWBXFO-SSDOTTSWSA-N -1 1 271.277 -0.653 20 0 CBADMM COC[C@@H](NC(=O)c1ccc(OC)nn1)c1nn[n-]n1 ZINC001363420153 893667092 /nfs/dbraw/zinc/66/70/92/893667092.db2.gz XEENFQZQNDQNSE-SSDOTTSWSA-N -1 1 279.260 -0.884 20 0 CBADMM O=C(N1CCC[C@@H](Cc2nn[n-]n2)C1)[C@]1(O)CCOC1 ZINC001363430072 893672229 /nfs/dbraw/zinc/67/22/29/893672229.db2.gz FSVICXQRSHIVJS-CABZTGNLSA-N -1 1 281.316 -0.868 20 0 CBADMM CCOC(=O)NCCC(=O)N[C@@H](COC)c1nn[n-]n1 ZINC001363435205 893676326 /nfs/dbraw/zinc/67/63/26/893676326.db2.gz MEFCOGAKNULXKT-ZETCQYMHSA-N -1 1 286.292 -0.860 20 0 CBADMM COC[C@H](NC(=O)c1ccn(C(F)F)n1)c1nn[n-]n1 ZINC001363437384 893677026 /nfs/dbraw/zinc/67/70/26/893677026.db2.gz QYZZPVQLHIALHA-LURJTMIESA-N -1 1 287.230 -0.091 20 0 CBADMM COC[C@@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)c1nn[n-]n1 ZINC001363439741 893678284 /nfs/dbraw/zinc/67/82/84/893678284.db2.gz XILDHQRUSPXPBX-PELKAZGASA-N -1 1 296.331 -0.548 20 0 CBADMM COC[C@H](NC(=O)[C@H]1CCCN1C(C)=O)c1nn[n-]n1 ZINC001363437916 893680697 /nfs/dbraw/zinc/68/06/97/893680697.db2.gz RHTALSXVMWDADZ-DTWKUNHWSA-N -1 1 282.304 -0.986 20 0 CBADMM CN(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC001363441046 893683689 /nfs/dbraw/zinc/68/36/89/893683689.db2.gz BPQAKPMSRHLJIM-SECBINFHSA-N -1 1 295.347 -0.606 20 0 CBADMM C[C@@](CO)(NC(=O)CCc1nn[n-]n1)c1ccc(O)cc1 ZINC001363461093 893704865 /nfs/dbraw/zinc/70/48/65/893704865.db2.gz OPPQHTGYQCNSNI-ZDUSSCGKSA-N -1 1 291.311 -0.138 20 0 CBADMM O=C(CCc1nn[n-]n1)N[C@H]1c2ccccc2C[C@@H]1O ZINC001363467607 893707173 /nfs/dbraw/zinc/70/71/73/893707173.db2.gz UUUZSDHFCHAKGR-GWCFXTLKSA-N -1 1 273.296 -0.093 20 0 CBADMM CS(=O)(=O)c1ccc(C(=O)[N-]N2CCOC2=O)cn1 ZINC001363483580 893721189 /nfs/dbraw/zinc/72/11/89/893721189.db2.gz SHGJLBJLLDPXCV-UHFFFAOYSA-N -1 1 285.281 -0.418 20 0 CBADMM CCOC(=O)[C@H](COC)NC(=O)CCCc1nn[n-]n1 ZINC001363495714 893737685 /nfs/dbraw/zinc/73/76/85/893737685.db2.gz UHHFWNONNOWHRK-QMMMGPOBSA-N -1 1 285.304 -0.783 20 0 CBADMM O=C(c1cn[nH]c(=O)c1)N1CCC(c2nn[n-]n2)CC1 ZINC001363518244 893756626 /nfs/dbraw/zinc/75/66/26/893756626.db2.gz DQKNDERJASMFPI-UHFFFAOYSA-N -1 1 275.272 -0.285 20 0 CBADMM O=C([C@H]1CCOC(=O)N1)N1CCC(c2nn[n-]n2)CC1 ZINC001363519110 893757011 /nfs/dbraw/zinc/75/70/11/893757011.db2.gz LGHMOYNRUQTSRN-MRVPVSSYSA-N -1 1 280.288 -0.596 20 0 CBADMM O=C(C[C@H]1CCC(=O)NC1)N1CCC(c2nn[n-]n2)CC1 ZINC001363519143 893757495 /nfs/dbraw/zinc/75/74/95/893757495.db2.gz MCDCZWZOOBOLIK-SECBINFHSA-N -1 1 292.343 -0.178 20 0 CBADMM CC(=O)N1CCC(C(=O)N2CC[C@H](c3nn[n-]n3)C2)CC1 ZINC001363524377 893766121 /nfs/dbraw/zinc/76/61/21/893766121.db2.gz MDCNROKHXINDOB-NSHDSACASA-N -1 1 292.343 -0.226 20 0 CBADMM CCCNC(=O)CCC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001363525374 893766914 /nfs/dbraw/zinc/76/69/14/893766914.db2.gz PESLELUZUAQINB-SECBINFHSA-N -1 1 280.332 -0.178 20 0 CBADMM O=C(c1ccc([O-])cn1)N1CCC(=O)NCC12COC2 ZINC001363541006 893777611 /nfs/dbraw/zinc/77/76/11/893777611.db2.gz SRALBYQCVIEXFW-UHFFFAOYSA-N -1 1 277.280 -0.482 20 0 CBADMM CSCC[C@H](NC(=O)[C@H]1CCC(=O)O1)c1nn[n-]n1 ZINC001363544798 893783838 /nfs/dbraw/zinc/78/38/38/893783838.db2.gz VNTABFANNOEOEV-NKWVEPMBSA-N -1 1 285.329 -0.184 20 0 CBADMM O=C(CCc1nn[n-]n1)N1CCC2(CCNC2=O)CC1 ZINC001363553295 893789463 /nfs/dbraw/zinc/78/94/63/893789463.db2.gz AGTGDAXQRKVMLN-UHFFFAOYSA-N -1 1 278.316 -0.739 20 0 CBADMM O=C(NC1(c2nn[n-]n2)CCC1)[C@H](O)c1cccnc1 ZINC001363553132 893791244 /nfs/dbraw/zinc/79/12/44/893791244.db2.gz SVZZHPFTARBEHT-SECBINFHSA-N -1 1 274.284 -0.176 20 0 CBADMM Cn1cnnc1[C@H]1CCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001363561161 893796307 /nfs/dbraw/zinc/79/63/07/893796307.db2.gz TYFCZYDLSMTQJD-VIFPVBQESA-N -1 1 290.331 -0.333 20 0 CBADMM O=C(c1ns[nH]c1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001363579885 893812094 /nfs/dbraw/zinc/81/20/94/893812094.db2.gz DVSQKWPRLCBMQM-LURJTMIESA-N -1 1 295.328 -0.561 20 0 CBADMM COC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)c1nn[n-]n1 ZINC001363582401 893818034 /nfs/dbraw/zinc/81/80/34/893818034.db2.gz AEPAPVOMCXCARF-UTLUCORTSA-N -1 1 281.316 -0.182 20 0 CBADMM COC[C@H](NC(=O)Cc1cccc(O)c1)c1nn[n-]n1 ZINC001363584301 893818420 /nfs/dbraw/zinc/81/84/20/893818420.db2.gz DORDZBKWQIWHPK-JTQLQIEISA-N -1 1 277.284 -0.048 20 0 CBADMM O=C([C@@H]1COC(=O)N1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001363584836 893821007 /nfs/dbraw/zinc/82/10/07/893821007.db2.gz OLOVPSPLWXEFBL-YUMQZZPRSA-N -1 1 280.288 -0.911 20 0 CBADMM Cn1ncc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)c1N ZINC001363586377 893821079 /nfs/dbraw/zinc/82/10/79/893821079.db2.gz URMLLUMBZCONPT-MRVPVSSYSA-N -1 1 290.331 -0.390 20 0 CBADMM C[C@H](CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)NC(N)=O ZINC001363585016 893822899 /nfs/dbraw/zinc/82/28/99/893822899.db2.gz PZBKWFBTJJXQPX-RKDXNWHRSA-N -1 1 295.347 -0.572 20 0 CBADMM COC[C@@H](NC(=O)c1c2c(nn1C)CCC2)c1nn[n-]n1 ZINC001363587556 893823036 /nfs/dbraw/zinc/82/30/36/893823036.db2.gz 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ZINC000825668806 582743409 /nfs/dbraw/zinc/74/34/09/582743409.db2.gz KINQAGHLGAZQKU-SFHVURJKSA-N -1 1 267.318 -0.163 20 0 CBADMM CC[S@](=O)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825668806 582743412 /nfs/dbraw/zinc/74/34/12/582743412.db2.gz KINQAGHLGAZQKU-SFHVURJKSA-N -1 1 267.318 -0.163 20 0 CBADMM CN1C[C@@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)CC1=O ZINC000825679539 582743764 /nfs/dbraw/zinc/74/37/64/582743764.db2.gz ULWSNOFRDHSWRX-QMMMGPOBSA-N -1 1 291.336 -0.022 20 0 CBADMM C/C(=C\CN1CCN(C(=O)CN(C)C)CC1)C(=O)[O-] ZINC000825740697 582745364 /nfs/dbraw/zinc/74/53/64/582745364.db2.gz ABAXGJNOJKTWII-NYYWCZLTSA-N -1 1 269.345 -0.277 20 0 CBADMM C/C(=C/CN1CCN(C(=O)CN(C)C)CC1)C(=O)[O-] ZINC000825740700 582745541 /nfs/dbraw/zinc/74/55/41/582745541.db2.gz ABAXGJNOJKTWII-WCIBSUBMSA-N -1 1 269.345 -0.277 20 0 CBADMM CN(C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825846142 582748643 /nfs/dbraw/zinc/74/86/43/582748643.db2.gz SSAHHHSUSTVPLI-UHFFFAOYSA-N -1 1 291.319 -0.636 20 0 CBADMM CN(C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825846142 582748644 /nfs/dbraw/zinc/74/86/44/582748644.db2.gz SSAHHHSUSTVPLI-UHFFFAOYSA-N -1 1 291.319 -0.636 20 0 CBADMM CN(C[C@@H](O)C1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825902340 582750346 /nfs/dbraw/zinc/75/03/46/582750346.db2.gz RFWWVLYKYZVOTB-SECBINFHSA-N -1 1 261.289 -0.136 20 0 CBADMM CN(C[C@@H](O)C1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825902340 582750347 /nfs/dbraw/zinc/75/03/47/582750347.db2.gz RFWWVLYKYZVOTB-SECBINFHSA-N -1 1 261.289 -0.136 20 0 CBADMM C[C@H](C(=O)NCC(=O)[O-])N1CCN2CCCC[C@H]2C1 ZINC000825999862 582754035 /nfs/dbraw/zinc/75/40/35/582754035.db2.gz KALBAFQYRWDETC-MNOVXSKESA-N -1 1 269.345 -0.254 20 0 CBADMM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1nc[nH]n1 ZINC000826019614 582755034 /nfs/dbraw/zinc/75/50/34/582755034.db2.gz GIKBYAXSRANREB-QMMMGPOBSA-N -1 1 267.289 -0.052 20 0 CBADMM CN1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826044714 582755999 /nfs/dbraw/zinc/75/59/99/582755999.db2.gz JOGHDBNMKCYAHO-MRVPVSSYSA-N -1 1 276.304 -0.601 20 0 CBADMM CN1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826044715 582756158 /nfs/dbraw/zinc/75/61/58/582756158.db2.gz JOGHDBNMKCYAHO-QMMMGPOBSA-N -1 1 276.304 -0.601 20 0 CBADMM CNC(=O)NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826067100 582757853 /nfs/dbraw/zinc/75/78/53/582757853.db2.gz BEPITFALKCPWOL-UHFFFAOYSA-N -1 1 291.271 -0.560 20 0 CBADMM COC(=O)C1=C(C)O[C@@H](Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000826129554 582760633 /nfs/dbraw/zinc/76/06/33/582760633.db2.gz VFZCOHJLZMINDT-SSDOTTSWSA-N -1 1 291.271 -0.306 20 0 CBADMM COC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826149196 582761873 /nfs/dbraw/zinc/76/18/73/582761873.db2.gz BKPJHZXWQQPQGF-ZETCQYMHSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@H](CCO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826149196 582761876 /nfs/dbraw/zinc/76/18/76/582761876.db2.gz BKPJHZXWQQPQGF-ZETCQYMHSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(N)=O ZINC000826151778 582762467 /nfs/dbraw/zinc/76/24/67/582762467.db2.gz JJNVIAFTGDPECA-SSDOTTSWSA-N -1 1 263.261 -0.826 20 0 CBADMM COC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(N)=O ZINC000826151778 582762468 /nfs/dbraw/zinc/76/24/68/582762468.db2.gz JJNVIAFTGDPECA-SSDOTTSWSA-N -1 1 263.261 -0.826 20 0 CBADMM COCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(N)=O ZINC000826155383 582763098 /nfs/dbraw/zinc/76/30/98/582763098.db2.gz OGOMBAPXDVZCGS-ZETCQYMHSA-N -1 1 277.288 -0.436 20 0 CBADMM COCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(N)=O ZINC000826155383 582763101 /nfs/dbraw/zinc/76/31/01/582763101.db2.gz OGOMBAPXDVZCGS-ZETCQYMHSA-N -1 1 277.288 -0.436 20 0 CBADMM COC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000826153403 582763205 /nfs/dbraw/zinc/76/32/05/582763205.db2.gz MMNSFKDJGLZZQI-MRVPVSSYSA-N -1 1 277.288 -0.492 20 0 CBADMM COC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000826153403 582763207 /nfs/dbraw/zinc/76/32/07/582763207.db2.gz MMNSFKDJGLZZQI-MRVPVSSYSA-N -1 1 277.288 -0.492 20 0 CBADMM COCCN(CCO)c1ccc(-c2nnn[n-]2)nn1 ZINC000826158587 582763887 /nfs/dbraw/zinc/76/38/87/582763887.db2.gz VJXNHFAHDCTXFC-UHFFFAOYSA-N -1 1 265.277 -0.898 20 0 CBADMM COCCN(CCO)c1ccc(-c2nn[n-]n2)nn1 ZINC000826158587 582763890 /nfs/dbraw/zinc/76/38/90/582763890.db2.gz VJXNHFAHDCTXFC-UHFFFAOYSA-N -1 1 265.277 -0.898 20 0 CBADMM Cc1nc2n(n1)C[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826329202 582766559 /nfs/dbraw/zinc/76/65/59/582766559.db2.gz UALGGZJYOJRQHO-QMMMGPOBSA-N -1 1 298.314 -0.016 20 0 CBADMM Cc1nc2n(n1)C[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826329202 582766560 /nfs/dbraw/zinc/76/65/60/582766560.db2.gz UALGGZJYOJRQHO-QMMMGPOBSA-N -1 1 298.314 -0.016 20 0 CBADMM Cc1onc(CC(=O)N(C)[C@H](C)CO)c1-c1nnn[n-]1 ZINC000826343361 582767152 /nfs/dbraw/zinc/76/71/52/582767152.db2.gz XNTOOPLXQFFLJV-ZCFIWIBFSA-N -1 1 280.288 -0.455 20 0 CBADMM Cc1onc(CC(=O)N(C)[C@H](C)CO)c1-c1nn[n-]n1 ZINC000826343361 582767154 /nfs/dbraw/zinc/76/71/54/582767154.db2.gz XNTOOPLXQFFLJV-ZCFIWIBFSA-N -1 1 280.288 -0.455 20 0 CBADMM Cc1nonc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826340381 582767172 /nfs/dbraw/zinc/76/71/72/582767172.db2.gz VXBJYFLALPZFIS-UHFFFAOYSA-N -1 1 259.233 -0.040 20 0 CBADMM Cc1nonc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826340381 582767174 /nfs/dbraw/zinc/76/71/74/582767174.db2.gz VXBJYFLALPZFIS-UHFFFAOYSA-N -1 1 259.233 -0.040 20 0 CBADMM Cc1noc(NC(=O)Cn2ccnc2-c2nnn[n-]2)n1 ZINC000826340248 582767179 /nfs/dbraw/zinc/76/71/79/582767179.db2.gz ONKRPDUQZYCGOT-UHFFFAOYSA-N -1 1 275.232 -0.607 20 0 CBADMM Cc1noc(NC(=O)Cn2ccnc2-c2nn[n-]n2)n1 ZINC000826340248 582767181 /nfs/dbraw/zinc/76/71/81/582767181.db2.gz ONKRPDUQZYCGOT-UHFFFAOYSA-N -1 1 275.232 -0.607 20 0 CBADMM Cc1onc(CC(=O)NC[C@@H](C)CCO)c1-c1nnn[n-]1 ZINC000826346219 582767376 /nfs/dbraw/zinc/76/73/76/582767376.db2.gz GSWWVDYVFFJQCP-ZETCQYMHSA-N -1 1 294.315 -0.160 20 0 CBADMM Cc1onc(CC(=O)NC[C@@H](C)CCO)c1-c1nn[n-]n1 ZINC000826346219 582767377 /nfs/dbraw/zinc/76/73/77/582767377.db2.gz GSWWVDYVFFJQCP-ZETCQYMHSA-N -1 1 294.315 -0.160 20 0 CBADMM Cc1onc(CC(=O)N2CCC[C@H](O)C2)c1-c1nnn[n-]1 ZINC000826344648 582767606 /nfs/dbraw/zinc/76/76/06/582767606.db2.gz NNTSNNKUANNEAN-QMMMGPOBSA-N -1 1 292.299 -0.311 20 0 CBADMM Cc1onc(CC(=O)N2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826344648 582767609 /nfs/dbraw/zinc/76/76/09/582767609.db2.gz NNTSNNKUANNEAN-QMMMGPOBSA-N -1 1 292.299 -0.311 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC2(O)CCCC2)c1=O ZINC000826356594 582767901 /nfs/dbraw/zinc/76/79/01/582767901.db2.gz XPFIXZAWRLVFAO-UHFFFAOYSA-N -1 1 292.299 -0.968 20 0 CBADMM Cc1onc(CC(=O)NCC[C@H](C)O)c1-c1nnn[n-]1 ZINC000826347657 582767915 /nfs/dbraw/zinc/76/79/15/582767915.db2.gz ZBBCACWAVILMKQ-LURJTMIESA-N -1 1 280.288 -0.407 20 0 CBADMM Cc1onc(CC(=O)NCC[C@H](C)O)c1-c1nn[n-]n1 ZINC000826347657 582767916 /nfs/dbraw/zinc/76/79/16/582767916.db2.gz ZBBCACWAVILMKQ-LURJTMIESA-N -1 1 280.288 -0.407 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCC(F)(F)F)c1=O ZINC000826356554 582767957 /nfs/dbraw/zinc/76/79/57/582767957.db2.gz WDVXQORTHSHAPV-UHFFFAOYSA-N -1 1 290.205 -0.321 20 0 CBADMM Cc1onc(CC(=O)NCC2(CO)CC2)c1-c1nnn[n-]1 ZINC000826347565 582768062 /nfs/dbraw/zinc/76/80/62/582768062.db2.gz VLLFZKFRUZYGRB-UHFFFAOYSA-N -1 1 292.299 -0.406 20 0 CBADMM Cc1onc(CC(=O)NCC2(CO)CC2)c1-c1nn[n-]n1 ZINC000826347565 582768065 /nfs/dbraw/zinc/76/80/65/582768065.db2.gz VLLFZKFRUZYGRB-UHFFFAOYSA-N -1 1 292.299 -0.406 20 0 CBADMM NC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000826390436 582770967 /nfs/dbraw/zinc/77/09/67/582770967.db2.gz ZVHDBUNAMVMRNH-QMMMGPOBSA-N -1 1 294.340 -0.386 20 0 CBADMM NC(=O)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826391779 582771308 /nfs/dbraw/zinc/77/13/08/582771308.db2.gz BEMIZKOZLILTTN-UHFFFAOYSA-N -1 1 280.219 -0.421 20 0 CBADMM NC(=O)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826391779 582771311 /nfs/dbraw/zinc/77/13/11/582771311.db2.gz BEMIZKOZLILTTN-UHFFFAOYSA-N -1 1 280.219 -0.421 20 0 CBADMM NC(=O)CCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826391246 582771372 /nfs/dbraw/zinc/77/13/72/582771372.db2.gz CHRSKBVTJIOUDZ-UHFFFAOYSA-N -1 1 262.229 -0.706 20 0 CBADMM NC(=O)CCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826391246 582771373 /nfs/dbraw/zinc/77/13/73/582771373.db2.gz CHRSKBVTJIOUDZ-UHFFFAOYSA-N -1 1 262.229 -0.706 20 0 CBADMM NC(=O)CCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000826391536 582771453 /nfs/dbraw/zinc/77/14/53/582771453.db2.gz PHIRWPDULUEEKZ-UHFFFAOYSA-N -1 1 267.270 -0.040 20 0 CBADMM NC(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826391581 582771470 /nfs/dbraw/zinc/77/14/70/582771470.db2.gz RUQLSPRUERTWAA-UHFFFAOYSA-N -1 1 291.315 -0.937 20 0 CBADMM NC(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826391581 582771471 /nfs/dbraw/zinc/77/14/71/582771471.db2.gz RUQLSPRUERTWAA-UHFFFAOYSA-N -1 1 291.315 -0.937 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnc2n1CCCC2 ZINC000826395697 582771771 /nfs/dbraw/zinc/77/17/71/582771771.db2.gz PITLROPSHJCUOT-UHFFFAOYSA-N -1 1 299.298 -0.133 20 0 CBADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCC1CCC1 ZINC000826425208 582772654 /nfs/dbraw/zinc/77/26/54/582772654.db2.gz UIZHLMIXMAMBKF-UHFFFAOYSA-N -1 1 261.289 -0.021 20 0 CBADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCC1CCC1 ZINC000826425208 582772656 /nfs/dbraw/zinc/77/26/56/582772656.db2.gz UIZHLMIXMAMBKF-UHFFFAOYSA-N -1 1 261.289 -0.021 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@H](C2CC2)C1 ZINC000826424851 582772836 /nfs/dbraw/zinc/77/28/36/582772836.db2.gz GOBAIZPBPLDWHH-VIFPVBQESA-N -1 1 288.315 -0.283 20 0 CBADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1cccnc1 ZINC000826425036 582772845 /nfs/dbraw/zinc/77/28/45/582772845.db2.gz NPCCFHURJYSFLR-UHFFFAOYSA-N -1 1 284.283 -0.225 20 0 CBADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1cccnc1 ZINC000826425036 582772848 /nfs/dbraw/zinc/77/28/48/582772848.db2.gz NPCCFHURJYSFLR-UHFFFAOYSA-N -1 1 284.283 -0.225 20 0 CBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCO)C1CC1 ZINC000826472466 582775898 /nfs/dbraw/zinc/77/58/98/582775898.db2.gz LGGRZTMVRJDESG-UHFFFAOYSA-N -1 1 274.284 -0.141 20 0 CBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCO)C1CC1 ZINC000826472466 582775899 /nfs/dbraw/zinc/77/58/99/582775899.db2.gz LGGRZTMVRJDESG-UHFFFAOYSA-N -1 1 274.284 -0.141 20 0 CBADMM O=C1NCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826482592 582776880 /nfs/dbraw/zinc/77/68/80/582776880.db2.gz KETRCPVJBJBTSE-SSDOTTSWSA-N -1 1 260.261 -0.653 20 0 CBADMM O=C1NCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826482592 582776883 /nfs/dbraw/zinc/77/68/83/582776883.db2.gz KETRCPVJBJBTSE-SSDOTTSWSA-N -1 1 260.261 -0.653 20 0 CBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](O)C1 ZINC000826494625 582776959 /nfs/dbraw/zinc/77/69/59/582776959.db2.gz JZVYKAFTQZOAJO-SSDOTTSWSA-N -1 1 296.312 -0.983 20 0 CBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](O)C1 ZINC000826494625 582776961 /nfs/dbraw/zinc/77/69/61/582776961.db2.gz JZVYKAFTQZOAJO-SSDOTTSWSA-N -1 1 296.312 -0.983 20 0 CBADMM O=S(=O)(NCCO)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491392 582776999 /nfs/dbraw/zinc/77/69/99/582776999.db2.gz HSWBZSOWODPXFF-UHFFFAOYSA-N -1 1 287.276 -0.724 20 0 CBADMM O=S1(=O)CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826496904 582777030 /nfs/dbraw/zinc/77/70/30/582777030.db2.gz NLVSUGXUDFENRJ-UHFFFAOYSA-N -1 1 283.313 -0.310 20 0 CBADMM O=S1(=O)CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826496904 582777032 /nfs/dbraw/zinc/77/70/32/582777032.db2.gz NLVSUGXUDFENRJ-UHFFFAOYSA-N -1 1 283.313 -0.310 20 0 CBADMM O=C1OCCN1CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826483106 582777036 /nfs/dbraw/zinc/77/70/36/582777036.db2.gz BFODCNKTGDTFHZ-UHFFFAOYSA-N -1 1 290.287 -0.089 20 0 CBADMM O=C1OCCN1CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826483106 582777038 /nfs/dbraw/zinc/77/70/38/582777038.db2.gz BFODCNKTGDTFHZ-UHFFFAOYSA-N -1 1 290.287 -0.089 20 0 CBADMM OC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCOCC1 ZINC000826508060 582777460 /nfs/dbraw/zinc/77/74/60/582777460.db2.gz CIWPJVJSXOOUGM-SNVBAGLBSA-N -1 1 291.315 -0.144 20 0 CBADMM OC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCOCC1 ZINC000826508060 582777462 /nfs/dbraw/zinc/77/74/62/582777462.db2.gz CIWPJVJSXOOUGM-SNVBAGLBSA-N -1 1 291.315 -0.144 20 0 CBADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)COCC1CC1 ZINC000826503367 582777512 /nfs/dbraw/zinc/77/75/12/582777512.db2.gz VYVMLQLXOJUNID-VIFPVBQESA-N -1 1 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Cc1cc(C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n[nH]1 ZINC001362246637 892538410 /nfs/dbraw/zinc/53/84/10/892538410.db2.gz FTAWFWOOBWEXBB-LURJTMIESA-N -1 1 280.288 -0.532 20 0 CBADMM O=C([C@@H]1CCNC(=O)CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001362247600 892538612 /nfs/dbraw/zinc/53/86/12/892538612.db2.gz UNSNEMNRHSGZHU-DTWKUNHWSA-N -1 1 294.315 -0.984 20 0 CBADMM O=C(CCCc1nn[n-]n1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001362253710 892540035 /nfs/dbraw/zinc/54/00/35/892540035.db2.gz MGPXHKYYYHFELC-GWCFXTLKSA-N -1 1 295.343 -0.023 20 0 CBADMM O=C(CCc1nn[n-]n1)N[C@H](CO)Cc1ccc(O)cc1 ZINC001362260276 892547777 /nfs/dbraw/zinc/54/77/77/892547777.db2.gz LSQBOGSSXNJAHI-JTQLQIEISA-N -1 1 291.311 -0.442 20 0 CBADMM C[C@](CO)(NC(=O)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001362284191 892564903 /nfs/dbraw/zinc/56/49/03/892564903.db2.gz INLJSDJFLDLFIS-CQSZACIVSA-N -1 1 293.323 -0.206 20 0 CBADMM C[C@@](CO)(NC(=O)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001362284186 892566109 /nfs/dbraw/zinc/56/61/09/892566109.db2.gz 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892617310 /nfs/dbraw/zinc/61/73/10/892617310.db2.gz GZJBGXMJEHZYLL-RKDXNWHRSA-N -1 1 281.316 -0.068 20 0 CBADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362357875 892621828 /nfs/dbraw/zinc/62/18/28/892621828.db2.gz QTGZMGXFAJXAPC-YIZRAAEISA-N -1 1 278.316 -0.583 20 0 CBADMM C[C@@H](CNC(=O)CCCc1nn[n-]n1)c1nncn1C ZINC001362368994 892632364 /nfs/dbraw/zinc/63/23/64/892632364.db2.gz BUVCVDKDPVYKNP-QMMMGPOBSA-N -1 1 278.320 -0.429 20 0 CBADMM Cc1c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)nnn1C ZINC001362370515 892633391 /nfs/dbraw/zinc/63/33/91/892633391.db2.gz OMMUBXWAESADHH-ZETCQYMHSA-N -1 1 294.344 -0.433 20 0 CBADMM COC(=O)[C@H]1C[C@H](C)CCN1C(=O)CCc1nn[n-]n1 ZINC001362375208 892635741 /nfs/dbraw/zinc/63/57/41/892635741.db2.gz JRGZOYDUJBMIIB-RKDXNWHRSA-N -1 1 281.316 -0.068 20 0 CBADMM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc([O-])cn2)C1 ZINC001362376523 892638484 /nfs/dbraw/zinc/63/84/84/892638484.db2.gz SIOGJEZVWGNGRC-SECBINFHSA-N -1 1 299.352 -0.072 20 0 CBADMM CCC[C@H](NC(=O)c1cn(CCOC)nn1)c1nn[n-]n1 ZINC001362383681 892641659 /nfs/dbraw/zinc/64/16/59/892641659.db2.gz DRNVKAWOAXHPTN-QMMMGPOBSA-N -1 1 294.319 -0.291 20 0 CBADMM CCC[C@@H](NC(=O)C1=C2CCCN=C2NN1)c1nn[n-]n1 ZINC001362389795 892646530 /nfs/dbraw/zinc/64/65/30/892646530.db2.gz DPHPXPLBBQSJOY-MRVPVSSYSA-N -1 1 290.331 -0.289 20 0 CBADMM CCO[C@@H]1C[C@@H](NC(=O)CCCc2nn[n-]n2)[C@@H]1OC ZINC001362401644 892653913 /nfs/dbraw/zinc/65/39/13/892653913.db2.gz YFJMQPZSHNSRID-LNLATYFQSA-N -1 1 283.332 -0.169 20 0 CBADMM Cn1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1=O ZINC001362404363 892656589 /nfs/dbraw/zinc/65/65/89/892656589.db2.gz BERNBCBSQFIIBU-SECBINFHSA-N -1 1 288.311 -0.082 20 0 CBADMM C[C@H](NC(=O)CCCc1nn[n-]n1)C(=O)N1CCCC1 ZINC001362415326 892664301 /nfs/dbraw/zinc/66/43/01/892664301.db2.gz XIQQLSOYDXUEHH-VIFPVBQESA-N -1 1 280.332 -0.351 20 0 CBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cc(C)ncn1 ZINC001362420213 892667293 /nfs/dbraw/zinc/66/72/93/892667293.db2.gz JJQXAXDTQPEYCS-UHFFFAOYSA-N 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299.371 -0.185 20 0 CBADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC000820335335 582564824 /nfs/dbraw/zinc/56/48/24/582564824.db2.gz WJJUAWPDPKTHDD-YUMQZZPRSA-N -1 1 292.303 -0.858 20 0 CBADMM CCN1CCN(CC(=O)N(CC(=O)[O-])C(C)C)CC1 ZINC000820353991 582565651 /nfs/dbraw/zinc/56/56/51/582565651.db2.gz JXINCCCIOUJACR-UHFFFAOYSA-N -1 1 271.361 -0.055 20 0 CBADMM CCNC(=O)CN1CCN(CCCC(=O)[O-])CC1 ZINC000820354296 582565738 /nfs/dbraw/zinc/56/57/38/582565738.db2.gz RDEJCOVYMXWDHQ-UHFFFAOYSA-N -1 1 257.334 -0.395 20 0 CBADMM C[C@@H](NC(N)=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820412168 582568486 /nfs/dbraw/zinc/56/84/86/582568486.db2.gz KRGOCRJMFZYUOE-RXMQYKEDSA-N -1 1 291.271 -0.432 20 0 CBADMM C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820480511 582570750 /nfs/dbraw/zinc/57/07/50/582570750.db2.gz LGBLHMFZIRYTIT-ZETCQYMHSA-N -1 1 262.273 -0.286 20 0 CBADMM C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820480511 582570756 /nfs/dbraw/zinc/57/07/56/582570756.db2.gz 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CCC[C@H](O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821028728 582590637 /nfs/dbraw/zinc/59/06/37/582590637.db2.gz YJONUQKZKGZWSV-ZETCQYMHSA-N -1 1 294.319 -0.117 20 0 CBADMM CCC[C@H](O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821028728 582590640 /nfs/dbraw/zinc/59/06/40/582590640.db2.gz YJONUQKZKGZWSV-ZETCQYMHSA-N -1 1 294.319 -0.117 20 0 CBADMM CCC[C@H]1C[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821033400 582590742 /nfs/dbraw/zinc/59/07/42/582590742.db2.gz AGQLLGJDSJWRTN-YUMQZZPRSA-N -1 1 276.304 -0.237 20 0 CBADMM Cc1ccccc1[C@H](CO)NCC(=O)NCC(=O)[O-] ZINC000821120007 582593736 /nfs/dbraw/zinc/59/37/36/582593736.db2.gz JEHJVGMJHFKCAH-NSHDSACASA-N -1 1 266.297 -0.181 20 0 CBADMM CCN(CC(C)(C)O)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821169813 582595001 /nfs/dbraw/zinc/59/50/01/582595001.db2.gz FEGQTMMUAVLVOJ-UHFFFAOYSA-N -1 1 294.319 -0.922 20 0 CBADMM CCN(CCO)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821215351 582596299 /nfs/dbraw/zinc/59/62/99/582596299.db2.gz PVEADYZMNCUZOA-UHFFFAOYSA-N -1 1 280.292 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XUEJVYLXJRRJDZ-SSDOTTSWSA-N -1 1 292.303 -0.147 20 0 CBADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000821572261 582611552 /nfs/dbraw/zinc/61/15/52/582611552.db2.gz XUEJVYLXJRRJDZ-SSDOTTSWSA-N -1 1 292.303 -0.147 20 0 CBADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCN(C)C1=O ZINC000821622247 582612724 /nfs/dbraw/zinc/61/27/24/582612724.db2.gz XJRIIYXXBLYCLY-SECBINFHSA-N -1 1 273.300 -0.071 20 0 CBADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCN(C)C1=O ZINC000821622247 582612727 /nfs/dbraw/zinc/61/27/27/582612727.db2.gz XJRIIYXXBLYCLY-SECBINFHSA-N -1 1 273.300 -0.071 20 0 CBADMM CNC(=O)[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC000821629954 582613598 /nfs/dbraw/zinc/61/35/98/582613598.db2.gz HIAMNMVKALMTAG-ZETCQYMHSA-N -1 1 276.304 -0.525 20 0 CBADMM CNC(=O)[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC000821629954 582613601 /nfs/dbraw/zinc/61/36/01/582613601.db2.gz HIAMNMVKALMTAG-ZETCQYMHSA-N -1 1 276.304 -0.525 20 0 CBADMM CNC(=O)CCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821632971 582613728 /nfs/dbraw/zinc/61/37/28/582613728.db2.gz RBKAXDYJOKHRJR-UHFFFAOYSA-N -1 1 276.256 -0.445 20 0 CBADMM CNC(=O)CCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821632971 582613729 /nfs/dbraw/zinc/61/37/29/582613729.db2.gz RBKAXDYJOKHRJR-UHFFFAOYSA-N -1 1 276.256 -0.445 20 0 CBADMM COC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC000821682484 582615147 /nfs/dbraw/zinc/61/51/47/582615147.db2.gz GRCRBIGWJFBEMX-MRVPVSSYSA-N -1 1 294.319 -0.755 20 0 CBADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NN1CC(=O)[N-]C1=O ZINC000822333339 582632285 /nfs/dbraw/zinc/63/22/85/582632285.db2.gz WUYWUXCRGZGEKO-VIFPVBQESA-N -1 1 284.316 -0.490 20 0 CBADMM Cc1ncsc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822482048 582636576 /nfs/dbraw/zinc/63/65/76/582636576.db2.gz JETWVGDSYUNEIP-UHFFFAOYSA-N -1 1 291.300 -0.138 20 0 CBADMM Cc1nn(CC2(O)CCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500758 582637397 /nfs/dbraw/zinc/63/73/97/582637397.db2.gz FICIVFMTUWRRJD-UHFFFAOYSA-N -1 1 276.300 -0.045 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](O)C2)n1 ZINC000822608852 582641391 /nfs/dbraw/zinc/64/13/91/582641391.db2.gz ICEXKGFRAAUNCN-ZETCQYMHSA-N -1 1 292.303 -0.411 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](O)C2)n1 ZINC000822608852 582641392 /nfs/dbraw/zinc/64/13/92/582641392.db2.gz ICEXKGFRAAUNCN-ZETCQYMHSA-N -1 1 292.303 -0.411 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2cn[nH]c2)n1 ZINC000822620406 582641880 /nfs/dbraw/zinc/64/18/80/582641880.db2.gz QCBSGMFFVFRPEL-UHFFFAOYSA-N -1 1 274.248 -0.033 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2cn[nH]c2)n1 ZINC000822620406 582641881 /nfs/dbraw/zinc/64/18/81/582641881.db2.gz QCBSGMFFVFRPEL-UHFFFAOYSA-N -1 1 274.248 -0.033 20 0 CBADMM Cn1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822690378 582643982 /nfs/dbraw/zinc/64/39/82/582643982.db2.gz XHVHAHFTALBGJD-UHFFFAOYSA-N -1 1 287.287 -0.887 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cc[nH]n1 ZINC000822902383 582652386 /nfs/dbraw/zinc/65/23/86/582652386.db2.gz AGGZOGJZAZKFQV-UHFFFAOYSA-N -1 1 259.233 -0.749 20 0 CBADMM Nc1nccnc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822907414 582652504 /nfs/dbraw/zinc/65/25/04/582652504.db2.gz LSZXLCWOHPCKSV-UHFFFAOYSA-N -1 1 289.284 -0.052 20 0 CBADMM Nc1nccnc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822907414 582652507 /nfs/dbraw/zinc/65/25/07/582652507.db2.gz LSZXLCWOHPCKSV-UHFFFAOYSA-N -1 1 289.284 -0.052 20 0 CBADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)NC1CC1 ZINC000823005216 582655492 /nfs/dbraw/zinc/65/54/92/582655492.db2.gz HPCHOMZISLLXLD-UHFFFAOYSA-N -1 1 292.324 -0.063 20 0 CBADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)NC1CC1 ZINC000823005216 582655494 /nfs/dbraw/zinc/65/54/94/582655494.db2.gz HPCHOMZISLLXLD-UHFFFAOYSA-N -1 1 292.324 -0.063 20 0 CBADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1nnn[n-]1 ZINC000823108707 582658971 /nfs/dbraw/zinc/65/89/71/582658971.db2.gz PMJYCIXDTJAMRR-UHFFFAOYSA-N -1 1 271.244 -0.439 20 0 CBADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1nn[n-]n1 ZINC000823108707 582658974 /nfs/dbraw/zinc/65/89/74/582658974.db2.gz PMJYCIXDTJAMRR-UHFFFAOYSA-N -1 1 271.244 -0.439 20 0 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/nfs/dbraw/zinc/75/76/86/582757686.db2.gz SDQZCMOHVADPCD-MRVPVSSYSA-N -1 1 288.315 -0.381 20 0 CBADMM CNS(=O)(=O)CCCn1ccnc1-c1nnn[n-]1 ZINC000826090761 582758606 /nfs/dbraw/zinc/75/86/06/582758606.db2.gz NXNFSNZJMWNXDV-UHFFFAOYSA-N -1 1 271.306 -0.998 20 0 CBADMM CNS(=O)(=O)CCCn1ccnc1-c1nn[n-]n1 ZINC000826090761 582758609 /nfs/dbraw/zinc/75/86/09/582758609.db2.gz NXNFSNZJMWNXDV-UHFFFAOYSA-N -1 1 271.306 -0.998 20 0 CBADMM COC[C@H](CNc1nccnc1-c1nnn[n-]1)OC ZINC000826149687 582762008 /nfs/dbraw/zinc/76/20/08/582762008.db2.gz MVQLLPSERZRFHK-ZETCQYMHSA-N -1 1 265.277 -0.270 20 0 CBADMM COC[C@H](CNc1nccnc1-c1nn[n-]n1)OC ZINC000826149687 582762011 /nfs/dbraw/zinc/76/20/11/582762011.db2.gz MVQLLPSERZRFHK-ZETCQYMHSA-N -1 1 265.277 -0.270 20 0 CBADMM COC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(N)=O ZINC000826151483 582762404 /nfs/dbraw/zinc/76/24/04/582762404.db2.gz BTWJUXQQQXVQNC-ZCFIWIBFSA-N -1 1 297.706 -0.173 20 0 CBADMM COC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(N)=O ZINC000826151483 582762407 /nfs/dbraw/zinc/76/24/07/582762407.db2.gz BTWJUXQQQXVQNC-ZCFIWIBFSA-N -1 1 297.706 -0.173 20 0 CBADMM COC[C@H](CCO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826149930 582762495 /nfs/dbraw/zinc/76/24/95/582762495.db2.gz RXELJBCUPOGJME-VIFPVBQESA-N -1 1 292.299 -0.611 20 0 CBADMM COC[C@H](CCO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826149930 582762497 /nfs/dbraw/zinc/76/24/97/582762497.db2.gz RXELJBCUPOGJME-VIFPVBQESA-N -1 1 292.299 -0.611 20 0 CBADMM CO[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826166503 582764524 /nfs/dbraw/zinc/76/45/24/582764524.db2.gz OAATYQNPODIKMI-MRVPVSSYSA-N -1 1 292.299 -0.047 20 0 CBADMM CO[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826166503 582764528 /nfs/dbraw/zinc/76/45/28/582764528.db2.gz OAATYQNPODIKMI-MRVPVSSYSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)ncn1 ZINC000826261553 582765409 /nfs/dbraw/zinc/76/54/09/582765409.db2.gz JNNAPQFOJUMJKG-UHFFFAOYSA-N -1 1 271.244 -0.568 20 0 CBADMM Cc1ncc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000826330456 582766553 /nfs/dbraw/zinc/76/65/53/582766553.db2.gz VFXIHHWAKRHJOB-UHFFFAOYSA-N -1 1 291.300 -0.138 20 0 CBADMM Cc1nc(CN(C)c2nccnc2-c2nnn[n-]2)no1 ZINC000826325746 582766629 /nfs/dbraw/zinc/76/66/29/582766629.db2.gz KCQXGQORAIZYOS-UHFFFAOYSA-N -1 1 273.260 -0.015 20 0 CBADMM Cc1nc(CN(C)c2nccnc2-c2nn[n-]n2)no1 ZINC000826325746 582766632 /nfs/dbraw/zinc/76/66/32/582766632.db2.gz KCQXGQORAIZYOS-UHFFFAOYSA-N -1 1 273.260 -0.015 20 0 CBADMM Cc1nn(CCn2ccnc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826335004 582767034 /nfs/dbraw/zinc/76/70/34/582767034.db2.gz SXXAJGPFRCNNCU-UHFFFAOYSA-N -1 1 286.299 -0.063 20 0 CBADMM Cc1onc(CC(=O)N2CCC(=O)CC2)c1-c1nnn[n-]1 ZINC000826344066 582767467 /nfs/dbraw/zinc/76/74/67/582767467.db2.gz WHSSVZNYPGWURG-UHFFFAOYSA-N -1 1 290.283 -0.103 20 0 CBADMM Cc1onc(CC(=O)N2CCC(=O)CC2)c1-c1nn[n-]n1 ZINC000826344066 582767468 /nfs/dbraw/zinc/76/74/68/582767468.db2.gz WHSSVZNYPGWURG-UHFFFAOYSA-N -1 1 290.283 -0.103 20 0 CBADMM Cc1onc(CC(=O)N2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826344894 582767564 /nfs/dbraw/zinc/76/75/64/582767564.db2.gz VVJXEFSBYLTMDN-ZETCQYMHSA-N -1 1 292.299 -0.047 20 0 CBADMM Cc1onc(CC(=O)N2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826344894 582767565 /nfs/dbraw/zinc/76/75/65/582767565.db2.gz VVJXEFSBYLTMDN-ZETCQYMHSA-N -1 1 292.299 -0.047 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ncc[nH]2)n1 ZINC000826356909 582768014 /nfs/dbraw/zinc/76/80/14/582768014.db2.gz KODWMKGRWMUWKD-UHFFFAOYSA-N -1 1 288.275 -0.355 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ncc[nH]2)n1 ZINC000826356909 582768016 /nfs/dbraw/zinc/76/80/16/582768016.db2.gz KODWMKGRWMUWKD-UHFFFAOYSA-N -1 1 288.275 -0.355 20 0 CBADMM Cc1onc(CC(=O)NCC2(O)CCC2)c1-c1nnn[n-]1 ZINC000826347198 582768174 /nfs/dbraw/zinc/76/81/74/582768174.db2.gz IHSSPLZCLGQIBJ-UHFFFAOYSA-N -1 1 292.299 -0.263 20 0 CBADMM Cc1onc(CC(=O)NCC2(O)CCC2)c1-c1nn[n-]n1 ZINC000826347198 582768178 /nfs/dbraw/zinc/76/81/78/582768178.db2.gz IHSSPLZCLGQIBJ-UHFFFAOYSA-N -1 1 292.299 -0.263 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCc2ccccc2)c1=O ZINC000826356894 582768252 /nfs/dbraw/zinc/76/82/52/582768252.db2.gz KBUPTGXKOPUXJV-UHFFFAOYSA-N -1 1 298.306 -0.030 20 0 CBADMM Cn1ccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC000826362766 582768439 /nfs/dbraw/zinc/76/84/39/582768439.db2.gz HYQHKMXOFXCUQY-UHFFFAOYSA-N -1 1 273.260 -0.738 20 0 CBADMM Cn1[n-]c(COc2ccc(-c3nn[nH]n3)cc2)nc1=O ZINC000826365819 582769145 /nfs/dbraw/zinc/76/91/45/582769145.db2.gz FCZKDDBJKTUAKW-UHFFFAOYSA-N -1 1 273.256 -0.133 20 0 CBADMM Cn1nccc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000826366560 582769201 /nfs/dbraw/zinc/76/92/01/582769201.db2.gz NWOYTZROGKUXKE-UHFFFAOYSA-N -1 1 257.257 -0.190 20 0 CBADMM Cn1[n-]c(CSc2cc(-c3nn[nH]n3)ccn2)nc1=O ZINC000826365909 582769211 /nfs/dbraw/zinc/76/92/11/582769211.db2.gz JOEVFWTWZUULLO-UHFFFAOYSA-N -1 1 290.312 -0.024 20 0 CBADMM Cn1[n-]c(COc2cccc(-c3nn[nH]n3)c2)nc1=O ZINC000826365956 582769397 /nfs/dbraw/zinc/76/93/97/582769397.db2.gz LSWGKSKUULKKNC-UHFFFAOYSA-N -1 1 273.256 -0.133 20 0 CBADMM NC(=O)[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826390400 582770609 /nfs/dbraw/zinc/77/06/09/582770609.db2.gz YNHRAZHQZUDLBJ-VIFPVBQESA-N -1 1 278.272 -0.854 20 0 CBADMM NC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000826390400 582770612 /nfs/dbraw/zinc/77/06/12/582770612.db2.gz YNHRAZHQZUDLBJ-VIFPVBQESA-N -1 1 278.272 -0.854 20 0 CBADMM NC(=O)Cn1ccc(Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC000826392491 582771339 /nfs/dbraw/zinc/77/13/39/582771339.db2.gz ZXUIAZLQLIPKSF-UHFFFAOYSA-N -1 1 285.271 -0.313 20 0 CBADMM NC(=O)Cn1ccc(Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC000826392491 582771342 /nfs/dbraw/zinc/77/13/42/582771342.db2.gz ZXUIAZLQLIPKSF-UHFFFAOYSA-N -1 1 285.271 -0.313 20 0 CBADMM O=C(CNc1nccnc1-c1nnn[n-]1)NCC1CC1 ZINC000826414903 582772464 /nfs/dbraw/zinc/77/24/64/582772464.db2.gz LKFMEHMWCXRIAB-UHFFFAOYSA-N -1 1 274.288 -0.405 20 0 CBADMM O=C(CNc1nccnc1-c1nn[n-]n1)NCC1CC1 ZINC000826414903 582772465 /nfs/dbraw/zinc/77/24/65/582772465.db2.gz LKFMEHMWCXRIAB-UHFFFAOYSA-N -1 1 274.288 -0.405 20 0 CBADMM O=C(Cn1cnc(-c2nn[nH]n2)n1)[N-]OC1CCCC1 ZINC000826425731 582772994 /nfs/dbraw/zinc/77/29/94/582772994.db2.gz QSDVSYSRGWJIDS-UHFFFAOYSA-N -1 1 278.276 -0.551 20 0 CBADMM O=C(NC[C@@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826434327 582773242 /nfs/dbraw/zinc/77/32/42/582773242.db2.gz JVEAWYOJJFRRAB-LBPRGKRZSA-N -1 1 290.283 -0.857 20 0 CBADMM O=C(NC[C@@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826434327 582773244 /nfs/dbraw/zinc/77/32/44/582773244.db2.gz JVEAWYOJJFRRAB-LBPRGKRZSA-N -1 1 290.283 -0.857 20 0 CBADMM O=C(NCCn1ccnn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826440291 582774866 /nfs/dbraw/zinc/77/48/66/582774866.db2.gz HJCNDEGJCGKUIG-UHFFFAOYSA-N -1 1 285.271 -0.717 20 0 CBADMM O=C(NCCn1ccnn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826440291 582774867 /nfs/dbraw/zinc/77/48/67/582774867.db2.gz HJCNDEGJCGKUIG-UHFFFAOYSA-N -1 1 285.271 -0.717 20 0 CBADMM O=C(OCC1(CO)COC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462596 582775188 /nfs/dbraw/zinc/77/51/88/582775188.db2.gz CAYMHMIXJYPSSZ-UHFFFAOYSA-N -1 1 291.267 -0.573 20 0 CBADMM O=C(OCC1(CO)COC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462596 582775189 /nfs/dbraw/zinc/77/51/89/582775189.db2.gz CAYMHMIXJYPSSZ-UHFFFAOYSA-N -1 1 291.267 -0.573 20 0 CBADMM O=C(OC[C@@H]1CNC(=O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826479477 582775884 /nfs/dbraw/zinc/77/58/84/582775884.db2.gz ZPMJGDDCFDQYTI-ZETCQYMHSA-N -1 1 288.267 -0.445 20 0 CBADMM O=C(OC[C@@H]1CNC(=O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826479477 582775886 /nfs/dbraw/zinc/77/58/86/582775886.db2.gz ZPMJGDDCFDQYTI-ZETCQYMHSA-N -1 1 288.267 -0.445 20 0 CBADMM O=C1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCN12 ZINC000826479588 582775928 /nfs/dbraw/zinc/77/59/28/582775928.db2.gz CEEFZQXKZAMIDK-QMMMGPOBSA-N -1 1 286.299 -0.532 20 0 CBADMM O=C1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCN12 ZINC000826479588 582775930 /nfs/dbraw/zinc/77/59/30/582775930.db2.gz CEEFZQXKZAMIDK-QMMMGPOBSA-N -1 1 286.299 -0.532 20 0 CBADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)s2)N2CCOC[C@@H]12 ZINC000826482240 582776356 /nfs/dbraw/zinc/77/63/56/582776356.db2.gz WZFVVDKVAMWMIY-QUBYGPBYSA-N -1 1 292.324 -0.243 20 0 CBADMM O=C1N[C@@H](c2ccc(-c3nnn[n-]3)o2)N2CCOC[C@H]12 ZINC000826482048 582776382 /nfs/dbraw/zinc/77/63/82/582776382.db2.gz QIGBHKAQIXXTOH-LHLIQPBNSA-N -1 1 276.256 -0.711 20 0 CBADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)o2)N2CCOC[C@H]12 ZINC000826482048 582776385 /nfs/dbraw/zinc/77/63/85/582776385.db2.gz QIGBHKAQIXXTOH-LHLIQPBNSA-N -1 1 276.256 -0.711 20 0 CBADMM O=C1CN(CCNc2cccc(-c3nnn[n-]3)n2)CCN1 ZINC000826481159 582776469 /nfs/dbraw/zinc/77/64/69/582776469.db2.gz JKWHPNMCGHRPHU-UHFFFAOYSA-N -1 1 288.315 -0.895 20 0 CBADMM O=C1CN(CCNc2cccc(-c3nn[n-]n3)n2)CCN1 ZINC000826481159 582776472 /nfs/dbraw/zinc/77/64/72/582776472.db2.gz JKWHPNMCGHRPHU-UHFFFAOYSA-N -1 1 288.315 -0.895 20 0 CBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](O)C1 ZINC000826494626 582777076 /nfs/dbraw/zinc/77/70/76/582777076.db2.gz JZVYKAFTQZOAJO-ZETCQYMHSA-N -1 1 296.312 -0.983 20 0 CBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](O)C1 ZINC000826494626 582777078 /nfs/dbraw/zinc/77/70/78/582777078.db2.gz JZVYKAFTQZOAJO-ZETCQYMHSA-N -1 1 296.312 -0.983 20 0 CBADMM OC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCOCC1 ZINC000826508059 582777486 /nfs/dbraw/zinc/77/74/86/582777486.db2.gz CIWPJVJSXOOUGM-JTQLQIEISA-N -1 1 291.315 -0.144 20 0 CBADMM OC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCOCC1 ZINC000826508059 582777490 /nfs/dbraw/zinc/77/74/90/582777490.db2.gz CIWPJVJSXOOUGM-JTQLQIEISA-N -1 1 291.315 -0.144 20 0 CBADMM O[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCOC1 ZINC000826505803 582777672 /nfs/dbraw/zinc/77/76/72/582777672.db2.gz FRSXLUDAQMWIJS-SNVBAGLBSA-N -1 1 263.261 -0.780 20 0 CBADMM O[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCOC1 ZINC000826505803 582777675 /nfs/dbraw/zinc/77/76/75/582777675.db2.gz FRSXLUDAQMWIJS-SNVBAGLBSA-N -1 1 263.261 -0.780 20 0 CBADMM OC[C@@H](O)CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826508347 582778260 /nfs/dbraw/zinc/77/82/60/582778260.db2.gz NCSQQEOUMKHQHH-MRVPVSSYSA-N -1 1 267.314 -0.152 20 0 CBADMM OC[C@@H](O)CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826508347 582778263 /nfs/dbraw/zinc/77/82/63/582778263.db2.gz NCSQQEOUMKHQHH-MRVPVSSYSA-N -1 1 267.314 -0.152 20 0 CBADMM OCc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826510315 582778609 /nfs/dbraw/zinc/77/86/09/582778609.db2.gz JZHIDXMALWROHP-UHFFFAOYSA-N -1 1 257.257 -0.001 20 0 CBADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1COCCO1 ZINC000826515340 582779512 /nfs/dbraw/zinc/77/95/12/582779512.db2.gz VUGGQQXCVCMMPH-ZETCQYMHSA-N -1 1 263.261 -0.516 20 0 CBADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1COCCO1 ZINC000826515340 582779515 /nfs/dbraw/zinc/77/95/15/582779515.db2.gz VUGGQQXCVCMMPH-ZETCQYMHSA-N -1 1 263.261 -0.516 20 0 CBADMM c1ncn(CCCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826526627 582780059 /nfs/dbraw/zinc/78/00/59/582780059.db2.gz FXZYVYOBKCJKBS-UHFFFAOYSA-N -1 1 272.276 -0.250 20 0 CBADMM c1ncn(CCCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826526627 582780063 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CC(C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824171511 582689482 /nfs/dbraw/zinc/68/94/82/582689482.db2.gz AVLLMJYIAVOGBF-UHFFFAOYSA-N -1 1 298.328 -0.689 20 0 CBADMM CC(C)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000824300097 582692688 /nfs/dbraw/zinc/69/26/88/582692688.db2.gz CLWKVEARADRJAD-UHFFFAOYSA-N -1 1 288.315 -0.286 20 0 CBADMM CC(C)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000824300097 582692689 /nfs/dbraw/zinc/69/26/89/582692689.db2.gz CLWKVEARADRJAD-UHFFFAOYSA-N -1 1 288.315 -0.286 20 0 CBADMM CC(C)OC[C@H](O)Cn1ccnc1-c1nnn[n-]1 ZINC000824309882 582693414 /nfs/dbraw/zinc/69/34/14/582693414.db2.gz YJSBDBDTBCKCSD-MRVPVSSYSA-N -1 1 252.278 -0.151 20 0 CBADMM CC(C)OC[C@H](O)Cn1ccnc1-c1nn[n-]n1 ZINC000824309882 582693417 /nfs/dbraw/zinc/69/34/17/582693417.db2.gz YJSBDBDTBCKCSD-MRVPVSSYSA-N -1 1 252.278 -0.151 20 0 CBADMM C[C@@H](CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824421850 582696424 /nfs/dbraw/zinc/69/64/24/582696424.db2.gz WFHNZZIAQCGLMQ-VIFPVBQESA-N -1 1 290.331 -0.211 20 0 CBADMM CC(CO)(CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824436279 582696641 /nfs/dbraw/zinc/69/66/41/582696641.db2.gz RRPUWBBHYYGRPS-UHFFFAOYSA-N -1 1 250.262 -0.583 20 0 CBADMM CC(CO)(CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824436279 582696642 /nfs/dbraw/zinc/69/66/42/582696642.db2.gz RRPUWBBHYYGRPS-UHFFFAOYSA-N -1 1 250.262 -0.583 20 0 CBADMM C[C@H](C[S@](C)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824448705 582697978 /nfs/dbraw/zinc/69/79/78/582697978.db2.gz KKANHJWANLIBLL-DMWPKQFHSA-N -1 1 267.318 -0.164 20 0 CBADMM C[C@H](C[S@](C)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824448705 582697981 /nfs/dbraw/zinc/69/79/81/582697981.db2.gz KKANHJWANLIBLL-DMWPKQFHSA-N -1 1 267.318 -0.164 20 0 CBADMM Cc1cc(NC(=O)NN2CC(=O)[N-]C2=O)c(N(C)C)nn1 ZINC000824530149 582699814 /nfs/dbraw/zinc/69/98/14/582699814.db2.gz VPUWPBYVCLTIOI-UHFFFAOYSA-N -1 1 293.287 -0.561 20 0 CBADMM C[C@@](O)(CC(=O)n1ncc(-c2nn[n-]n2)c1N)C1CC1 ZINC000824671105 582705500 /nfs/dbraw/zinc/70/55/00/582705500.db2.gz XBVKUSBQVIRBMB-LLVKDONJSA-N -1 1 277.288 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CCCCN(CC(N)=O)c1ccc(-c2nnn[n-]2)nn1 ZINC000825281343 582730504 /nfs/dbraw/zinc/73/05/04/582730504.db2.gz AHCJNLJCHIMXJZ-UHFFFAOYSA-N -1 1 276.304 -0.252 20 0 CBADMM CCCCN(CC(N)=O)c1ccc(-c2nn[n-]n2)nn1 ZINC000825281343 582730507 /nfs/dbraw/zinc/73/05/07/582730507.db2.gz AHCJNLJCHIMXJZ-UHFFFAOYSA-N -1 1 276.304 -0.252 20 0 CBADMM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H](C)N(C)C)CCO1 ZINC000825326211 582732392 /nfs/dbraw/zinc/73/23/92/582732392.db2.gz NVYJDAFMSNETHE-UTLUCORTSA-N -1 1 273.333 -0.180 20 0 CBADMM CC(C)OC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000825320697 582732480 /nfs/dbraw/zinc/73/24/80/582732480.db2.gz OMDOLKSOQMQSBW-UHFFFAOYSA-N -1 1 281.312 -0.438 20 0 CBADMM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccn[nH]2)CCO1 ZINC000825335113 582732790 /nfs/dbraw/zinc/73/27/90/582732790.db2.gz MJOFKVGJCQHWGX-VXNVDRBHSA-N -1 1 268.273 -0.093 20 0 CBADMM CCCn1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nn1 ZINC000825362095 582734536 /nfs/dbraw/zinc/73/45/36/582734536.db2.gz IXTDUYXOTFAVKE-UHFFFAOYSA-N -1 1 288.275 -0.665 20 0 CBADMM CCN(CC(=O)NC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825395129 582735581 /nfs/dbraw/zinc/73/55/81/582735581.db2.gz LBJOQLYGQWHRNA-UHFFFAOYSA-N -1 1 262.277 -0.771 20 0 CBADMM CCN(CC(=O)NC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825395129 582735583 /nfs/dbraw/zinc/73/55/83/582735583.db2.gz LBJOQLYGQWHRNA-UHFFFAOYSA-N -1 1 262.277 -0.771 20 0 CBADMM CCN(CCS(C)(=O)=O)c1nccnc1-c1nnn[n-]1 ZINC000825424953 582736413 /nfs/dbraw/zinc/73/64/13/582736413.db2.gz UUJBKZGILSWZQB-UHFFFAOYSA-N -1 1 297.344 -0.472 20 0 CBADMM CCN(CCS(C)(=O)=O)c1nccnc1-c1nn[n-]n1 ZINC000825424953 582736416 /nfs/dbraw/zinc/73/64/16/582736416.db2.gz UUJBKZGILSWZQB-UHFFFAOYSA-N -1 1 297.344 -0.472 20 0 CBADMM CN(C[C@H](O)CO)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825953227 582751895 /nfs/dbraw/zinc/75/18/95/582751895.db2.gz AYUJGZJQWCSWQO-BYPYZUCNSA-N -1 1 290.736 -0.234 20 0 CBADMM CN(C[C@H](O)CO)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825953227 582751897 /nfs/dbraw/zinc/75/18/97/582751897.db2.gz AYUJGZJQWCSWQO-BYPYZUCNSA-N -1 1 290.736 -0.234 20 0 CBADMM CN(Cc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCNC1=O ZINC000825962346 582752111 /nfs/dbraw/zinc/75/21/11/582752111.db2.gz XPMCPEISUWFLJE-MRVPVSSYSA-N -1 1 262.273 -0.220 20 0 CBADMM C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCN1C(=O)[O-] ZINC000825982539 582752945 /nfs/dbraw/zinc/75/29/45/582752945.db2.gz AJASWSTWERMRPC-QMMMGPOBSA-N -1 1 267.289 -0.052 20 0 CBADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC(OCCCO)CC1 ZINC000826001242 582754332 /nfs/dbraw/zinc/75/43/32/582754332.db2.gz UKFLTALZYFAULK-SNVBAGLBSA-N -1 1 288.344 -0.561 20 0 CBADMM CN1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1=O ZINC000826033569 582755819 /nfs/dbraw/zinc/75/58/19/582755819.db2.gz HHGGRSURGZTURU-MRVPVSSYSA-N -1 1 274.288 -0.311 20 0 CBADMM CN1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1=O ZINC000826033569 582755820 /nfs/dbraw/zinc/75/58/20/582755820.db2.gz HHGGRSURGZTURU-MRVPVSSYSA-N -1 1 274.288 -0.311 20 0 CBADMM CN1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1=O ZINC000826033570 582755838 /nfs/dbraw/zinc/75/58/38/582755838.db2.gz 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/nfs/dbraw/zinc/76/12/72/582761272.db2.gz RQYNUWIYTGJBOA-UHFFFAOYSA-N -1 1 262.273 -0.134 20 0 CBADMM COC(=O)CN(C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826138379 582761274 /nfs/dbraw/zinc/76/12/74/582761274.db2.gz RQYNUWIYTGJBOA-UHFFFAOYSA-N -1 1 262.273 -0.134 20 0 CBADMM COC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826148534 582761982 /nfs/dbraw/zinc/76/19/82/582761982.db2.gz KQWKQHAAYILYCL-SNVBAGLBSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826148534 582761984 /nfs/dbraw/zinc/76/19/84/582761984.db2.gz KQWKQHAAYILYCL-SNVBAGLBSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826149195 582762045 /nfs/dbraw/zinc/76/20/45/582762045.db2.gz BKPJHZXWQQPQGF-SSDOTTSWSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826149195 582762048 /nfs/dbraw/zinc/76/20/48/582762048.db2.gz BKPJHZXWQQPQGF-SSDOTTSWSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@@H](O)CCNc1nccnc1-c1nnn[n-]1 ZINC000826151809 582762461 /nfs/dbraw/zinc/76/24/61/582762461.db2.gz JZJPKJOAKJGDGG-ZETCQYMHSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@@H](O)CCNc1nccnc1-c1nn[n-]n1 ZINC000826151809 582762463 /nfs/dbraw/zinc/76/24/63/582762463.db2.gz JZJPKJOAKJGDGG-ZETCQYMHSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@@H](O)CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826152269 582762956 /nfs/dbraw/zinc/76/29/56/582762956.db2.gz UUDRXWZTDZVKPT-VIFPVBQESA-N -1 1 292.299 -0.611 20 0 CBADMM COC[C@@H](O)CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826152269 582762957 /nfs/dbraw/zinc/76/29/57/582762957.db2.gz UUDRXWZTDZVKPT-VIFPVBQESA-N -1 1 292.299 -0.611 20 0 CBADMM COCCN(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826157809 582763702 /nfs/dbraw/zinc/76/37/02/582763702.db2.gz MYTJFOCXPSSWNI-UHFFFAOYSA-N -1 1 280.288 -0.190 20 0 CBADMM COCCN(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826157809 582763705 /nfs/dbraw/zinc/76/37/05/582763705.db2.gz MYTJFOCXPSSWNI-UHFFFAOYSA-N -1 1 280.288 -0.190 20 0 CBADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc(=O)[nH]1 ZINC000826261742 582765526 /nfs/dbraw/zinc/76/55/26/582765526.db2.gz PZHWBBJTMOTITF-UHFFFAOYSA-N -1 1 286.255 -0.257 20 0 CBADMM Cc1onc(CC(=O)N2CCCOCC2)c1-c1nnn[n-]1 ZINC000826344561 582767354 /nfs/dbraw/zinc/76/73/54/582767354.db2.gz KZYDHACUZKIDDY-UHFFFAOYSA-N -1 1 292.299 -0.045 20 0 CBADMM Cc1onc(CC(=O)N2CCCOCC2)c1-c1nn[n-]n1 ZINC000826344561 582767356 /nfs/dbraw/zinc/76/73/56/582767356.db2.gz KZYDHACUZKIDDY-UHFFFAOYSA-N -1 1 292.299 -0.045 20 0 CBADMM Cc1onc(CC(=O)N[C@H]2CCO[C@H]2C)c1-c1nnn[n-]1 ZINC000826346190 582767429 /nfs/dbraw/zinc/76/74/29/582767429.db2.gz GBYUBGNDCZNTEW-XPUUQOCRSA-N -1 1 292.299 -0.001 20 0 CBADMM Cc1onc(CC(=O)N[C@H]2CCO[C@H]2C)c1-c1nn[n-]n1 ZINC000826346190 582767431 /nfs/dbraw/zinc/76/74/31/582767431.db2.gz GBYUBGNDCZNTEW-XPUUQOCRSA-N -1 1 292.299 -0.001 20 0 CBADMM Cc1onc(CC(=O)NC(C)(C)[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826345123 582767591 /nfs/dbraw/zinc/76/75/91/582767591.db2.gz CNSBLFZQNSKBAC-SSDOTTSWSA-N -1 1 294.315 -0.019 20 0 CBADMM Cc1onc(CC(=O)NC(C)(C)[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826345123 582767593 /nfs/dbraw/zinc/76/75/93/582767593.db2.gz CNSBLFZQNSKBAC-SSDOTTSWSA-N -1 1 294.315 -0.019 20 0 CBADMM Cc1onc(CC(=O)N2C[C@H](O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826344083 582767685 /nfs/dbraw/zinc/76/76/85/582767685.db2.gz WTEQQDLUSORNOH-RCOVLWMOSA-N -1 1 292.299 -0.455 20 0 CBADMM Cc1onc(CC(=O)N2C[C@H](O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826344083 582767688 /nfs/dbraw/zinc/76/76/88/582767688.db2.gz WTEQQDLUSORNOH-RCOVLWMOSA-N -1 1 292.299 -0.455 20 0 CBADMM Cc1onc(CC(=O)N2CCC[C@@H](O)C2)c1-c1nnn[n-]1 ZINC000826344647 582767704 /nfs/dbraw/zinc/76/77/04/582767704.db2.gz NNTSNNKUANNEAN-MRVPVSSYSA-N -1 1 292.299 -0.311 20 0 CBADMM Cc1onc(CC(=O)N2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000826344647 582767707 /nfs/dbraw/zinc/76/77/07/582767707.db2.gz NNTSNNKUANNEAN-MRVPVSSYSA-N -1 1 292.299 -0.311 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](O)C2)n1 ZINC000826356914 582767883 /nfs/dbraw/zinc/76/78/83/582767883.db2.gz KQJKADXRHQPQFS-ZCFIWIBFSA-N -1 1 278.276 -0.801 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](O)C2)n1 ZINC000826356914 582767885 /nfs/dbraw/zinc/76/78/85/582767885.db2.gz KQJKADXRHQPQFS-ZCFIWIBFSA-N -1 1 278.276 -0.801 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCOC2)n1 ZINC000826356939 582767973 /nfs/dbraw/zinc/76/79/73/582767973.db2.gz LLHWRCYSLSBIDO-LURJTMIESA-N -1 1 278.276 -0.489 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCOC2)n1 ZINC000826356939 582767974 /nfs/dbraw/zinc/76/79/74/582767974.db2.gz LLHWRCYSLSBIDO-LURJTMIESA-N -1 1 278.276 -0.489 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC2CCC2)c1=O ZINC000826356483 582768150 /nfs/dbraw/zinc/76/81/50/582768150.db2.gz SMGBXBMHZDPTAK-UHFFFAOYSA-N -1 1 262.273 -0.473 20 0 CBADMM NC(=O)c1cc(CNc2cccc(-c3nnn[n-]3)n2)on1 ZINC000826392725 582771950 /nfs/dbraw/zinc/77/19/50/582771950.db2.gz KUIKJGXNFPNMIJ-UHFFFAOYSA-N -1 1 286.255 -0.039 20 0 CBADMM NC(=O)c1cc(CNc2cccc(-c3nn[n-]n3)n2)on1 ZINC000826392725 582771952 /nfs/dbraw/zinc/77/19/52/582771952.db2.gz KUIKJGXNFPNMIJ-UHFFFAOYSA-N -1 1 286.255 -0.039 20 0 CBADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@H]1CCSC1=O ZINC000826424942 582772930 /nfs/dbraw/zinc/77/29/30/582772930.db2.gz JMTDCMSVXHOPTI-LURJTMIESA-N -1 1 293.312 -0.789 20 0 CBADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@H]1CCSC1=O ZINC000826424942 582772934 /nfs/dbraw/zinc/77/29/34/582772934.db2.gz JMTDCMSVXHOPTI-LURJTMIESA-N -1 1 293.312 -0.789 20 0 CBADMM O=C(NC1(CO)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426941 582773021 /nfs/dbraw/zinc/77/30/21/582773021.db2.gz AKGPTTYMZRMBNX-UHFFFAOYSA-N -1 1 260.257 -0.484 20 0 CBADMM O=C(NC1(CO)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426941 582773025 /nfs/dbraw/zinc/77/30/25/582773025.db2.gz AKGPTTYMZRMBNX-UHFFFAOYSA-N -1 1 260.257 -0.484 20 0 CBADMM O=C(NC[C@@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826434810 582773860 /nfs/dbraw/zinc/77/38/60/582773860.db2.gz YHKSYBOIMDVKIZ-NSHDSACASA-N -1 1 295.324 -0.191 20 0 CBADMM O=C(NC[C@@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826434810 582773863 /nfs/dbraw/zinc/77/38/63/582773863.db2.gz YHKSYBOIMDVKIZ-NSHDSACASA-N -1 1 295.324 -0.191 20 0 CBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1CO ZINC000826472504 582775789 /nfs/dbraw/zinc/77/57/89/582775789.db2.gz MJSJGHLMCPDKMG-SECBINFHSA-N -1 1 274.284 -0.141 20 0 CBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1CO ZINC000826472504 582775790 /nfs/dbraw/zinc/77/57/90/582775790.db2.gz MJSJGHLMCPDKMG-SECBINFHSA-N -1 1 274.284 -0.141 20 0 CBADMM O=S1(=O)CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826496948 582776823 /nfs/dbraw/zinc/77/68/23/582776823.db2.gz OVBCOHGTWNGXOC-UHFFFAOYSA-N -1 1 294.340 -0.508 20 0 CBADMM O=S1(=O)CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826496948 582776827 /nfs/dbraw/zinc/77/68/27/582776827.db2.gz OVBCOHGTWNGXOC-UHFFFAOYSA-N -1 1 294.340 -0.508 20 0 CBADMM O=C1NCCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826482665 582776982 /nfs/dbraw/zinc/77/69/82/582776982.db2.gz MTDPXYUFLSUIRH-MRVPVSSYSA-N -1 1 274.288 -0.263 20 0 CBADMM O=C1NCCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826482665 582776984 /nfs/dbraw/zinc/77/69/84/582776984.db2.gz MTDPXYUFLSUIRH-MRVPVSSYSA-N -1 1 274.288 -0.263 20 0 CBADMM O[C@]1(CNc2nccnc2-c2nnn[n-]2)CCOC1 ZINC000826505802 582777382 /nfs/dbraw/zinc/77/73/82/582777382.db2.gz FRSXLUDAQMWIJS-JTQLQIEISA-N -1 1 263.261 -0.780 20 0 CBADMM O[C@]1(CNc2nccnc2-c2nn[n-]n2)CCOC1 ZINC000826505802 582777384 /nfs/dbraw/zinc/77/73/84/582777384.db2.gz FRSXLUDAQMWIJS-JTQLQIEISA-N -1 1 263.261 -0.780 20 0 CBADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCOCC1 ZINC000826502921 582777688 /nfs/dbraw/zinc/77/76/88/582777688.db2.gz MMJPXSNOVCJJIF-SNVBAGLBSA-N -1 1 291.315 -0.144 20 0 CBADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCOCC1 ZINC000826502921 582777689 /nfs/dbraw/zinc/77/76/89/582777689.db2.gz MMJPXSNOVCJJIF-SNVBAGLBSA-N -1 1 291.315 -0.144 20 0 CBADMM OC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826509130 582778203 /nfs/dbraw/zinc/77/82/03/582778203.db2.gz MLPSUKFHUJQJAW-MRVPVSSYSA-N -1 1 261.289 -0.135 20 0 CBADMM OC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826509130 582778205 /nfs/dbraw/zinc/77/82/05/582778205.db2.gz MLPSUKFHUJQJAW-MRVPVSSYSA-N -1 1 261.289 -0.135 20 0 CBADMM OCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826509377 582778365 /nfs/dbraw/zinc/77/83/65/582778365.db2.gz UEGFKLNVVFQWRU-UHFFFAOYSA-N -1 1 261.289 -0.135 20 0 CBADMM OCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826509377 582778367 /nfs/dbraw/zinc/77/83/67/582778367.db2.gz UEGFKLNVVFQWRU-UHFFFAOYSA-N -1 1 261.289 -0.135 20 0 CBADMM OC[C@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826508689 582778445 /nfs/dbraw/zinc/77/84/45/582778445.db2.gz ZFTJCZYBQOCMMR-RXMQYKEDSA-N -1 1 270.680 -0.320 20 0 CBADMM OC[C@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826508689 582778446 /nfs/dbraw/zinc/77/84/46/582778446.db2.gz ZFTJCZYBQOCMMR-RXMQYKEDSA-N -1 1 270.680 -0.320 20 0 CBADMM c1cc(N2CCCC3(C2)OCCO3)nnc1-c1nnn[n-]1 ZINC000826516951 582779490 /nfs/dbraw/zinc/77/94/90/582779490.db2.gz JUSUPKWBOPVYNQ-UHFFFAOYSA-N -1 1 289.299 0.000 20 0 CBADMM c1cc(N2CCCC3(C2)OCCO3)nnc1-c1nn[n-]n1 ZINC000826516951 582779491 /nfs/dbraw/zinc/77/94/91/582779491.db2.gz JUSUPKWBOPVYNQ-UHFFFAOYSA-N -1 1 289.299 0.000 20 0 CBADMM c1cnc(NCCNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826525399 582780025 /nfs/dbraw/zinc/78/00/25/582780025.db2.gz ITIZMLIAYLJBEU-UHFFFAOYSA-N -1 1 284.287 -0.029 20 0 CBADMM c1cnc(NCCNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826525399 582780027 /nfs/dbraw/zinc/78/00/27/582780027.db2.gz ITIZMLIAYLJBEU-UHFFFAOYSA-N -1 1 284.287 -0.029 20 0 CBADMM CC[C@H](CO)N1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000826587340 582782464 /nfs/dbraw/zinc/78/24/64/582782464.db2.gz SLNSEXGIXOBASE-GHMZBOCLSA-N -1 1 287.360 -0.052 20 0 CBADMM CO[C@@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)C1CCC1 ZINC000826834245 582790148 /nfs/dbraw/zinc/79/01/48/582790148.db2.gz OLEHEWFLROEMRF-NXEZZACHSA-N -1 1 281.316 -0.085 20 0 CBADMM CCCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000826921557 582792483 /nfs/dbraw/zinc/79/24/83/582792483.db2.gz OWMJMYIYXVIZIV-QWRGUYRKSA-N -1 1 285.344 -0.346 20 0 CBADMM CCN1CCN(CC(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000827223868 582804507 /nfs/dbraw/zinc/80/45/07/582804507.db2.gz XBWDFVDHCFIHIY-GFCCVEGCSA-N -1 1 298.387 -0.118 20 0 CBADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000827355139 582812829 /nfs/dbraw/zinc/81/28/29/582812829.db2.gz JIQGZQWYMULNMC-ZJUUUORDSA-N -1 1 283.328 -0.728 20 0 CBADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000827355466 582812858 /nfs/dbraw/zinc/81/28/58/582812858.db2.gz JYXRVBPFUPAORP-GHMZBOCLSA-N -1 1 297.355 -0.480 20 0 CBADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000827355136 582812894 /nfs/dbraw/zinc/81/28/94/582812894.db2.gz JIQGZQWYMULNMC-NXEZZACHSA-N -1 1 283.328 -0.728 20 0 CBADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000827355471 582812923 /nfs/dbraw/zinc/81/29/23/582812923.db2.gz JYXRVBPFUPAORP-WDEREUQCSA-N -1 1 297.355 -0.480 20 0 CBADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000827355477 582812947 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276.256 -0.047 20 0 CBADMM CCOC(=O)[C@H]1[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]21 ZINC001176839718 820461674 /nfs/dbraw/zinc/46/16/74/820461674.db2.gz BHNXAVKBZAKHGM-MTBHXBHISA-N -1 1 265.273 -0.990 20 0 CBADMM COC[C@H](C)Oc1cc(NC(=O)Cc2nn[n-]n2)[nH]n1 ZINC001176839786 820463010 /nfs/dbraw/zinc/46/30/10/820463010.db2.gz DITDIRKVIPAIMG-LURJTMIESA-N -1 1 281.276 -0.482 20 0 CBADMM O=C(Cc1nn[n-]n1)N1CC(=O)NC2(CCCC2)C1 ZINC001176842273 820463422 /nfs/dbraw/zinc/46/34/22/820463422.db2.gz FOXHVUTVJDTCLI-UHFFFAOYSA-N -1 1 264.289 -0.987 20 0 CBADMM C[C@]1(CO)CCCN(C(=O)Cc2nn[n-]n2)CC1 ZINC001176839989 820464013 /nfs/dbraw/zinc/46/40/13/820464013.db2.gz JEVCVNGDBILCLM-NSHDSACASA-N -1 1 253.306 -0.247 20 0 CBADMM O=C(Cc1nn[n-]n1)N1CCC[C@](F)(CO)CC1 ZINC001176840587 820464764 /nfs/dbraw/zinc/46/47/64/820464764.db2.gz SJMIWPIHLUHSOT-SNVBAGLBSA-N -1 1 257.269 -0.545 20 0 CBADMM COC(=O)[C@]1(C)CCCN(C(=O)Cc2nn[n-]n2)C1 ZINC001176840125 820465039 /nfs/dbraw/zinc/46/50/39/820465039.db2.gz HGECPTOSUOHQSY-LLVKDONJSA-N -1 1 267.289 -0.456 20 0 CBADMM COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1nn[n-]n1)C2 ZINC001176839954 820465811 /nfs/dbraw/zinc/46/58/11/820465811.db2.gz IRXPRDRPKYSKGQ-ZWNOBZJWSA-N -1 1 295.343 -0.214 20 0 CBADMM CCN(CC(=O)OC(C)(C)C)C(=O)Cc1nn[n-]n1 ZINC001176840996 820465908 /nfs/dbraw/zinc/46/59/08/820465908.db2.gz PFROINCCEUYICX-UHFFFAOYSA-N -1 1 269.305 -0.068 20 0 CBADMM CN1C(=O)CC[C@@H]2CN(C(=O)Cc3nn[n-]n3)CC[C@H]21 ZINC001176842993 820466641 /nfs/dbraw/zinc/46/66/41/820466641.db2.gz YAOHNTRQVFCPGF-RKDXNWHRSA-N -1 1 278.316 -0.789 20 0 CBADMM Cn1cc(-c2cc(CNC(=O)Cc3nn[n-]n3)ccn2)cn1 ZINC001176844512 820467152 /nfs/dbraw/zinc/46/71/52/820467152.db2.gz BEDAGENJRUEZAD-UHFFFAOYSA-N -1 1 298.310 -0.146 20 0 CBADMM O=C(Cc1nn[n-]n1)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001176844775 820467558 /nfs/dbraw/zinc/46/75/58/820467558.db2.gz KCIISHVYVFEAOG-UHFFFAOYSA-N -1 1 287.239 -0.265 20 0 CBADMM Cn1nnc2cc(NC(=O)Cc3nn[n-]n3)ccc21 ZINC001176842953 820467968 /nfs/dbraw/zinc/46/79/68/820467968.db2.gz WIRIXJKXYPSYPQ-UHFFFAOYSA-N -1 1 258.245 -0.337 20 0 CBADMM Nc1cccc2c1CS(=O)(=O)N2C(=O)Cc1nn[n-]n1 ZINC001176844405 820467989 /nfs/dbraw/zinc/46/79/89/820467989.db2.gz BETCMEHILYDKJN-UHFFFAOYSA-N -1 1 294.296 -0.799 20 0 CBADMM O=C(Cc1nn[n-]n1)N[C@@H]1CCN(c2ccccn2)C1 ZINC001176847065 820469221 /nfs/dbraw/zinc/46/92/21/820469221.db2.gz GLWBYMTWWNFZJO-SECBINFHSA-N -1 1 273.300 -0.468 20 0 CBADMM O=C(Cc1nn[n-]n1)NCc1ccc2c(c1)CC(=O)N2 ZINC001176846972 820470199 /nfs/dbraw/zinc/47/01/99/820470199.db2.gz CLTJSFHXABVINI-UHFFFAOYSA-N -1 1 272.268 -0.447 20 0 CBADMM Cn1ncc2c1cccc2CNC(=O)Cc1nn[n-]n1 ZINC001176847297 820470219 /nfs/dbraw/zinc/47/02/19/820470219.db2.gz PODRIAXSJQJVSO-UHFFFAOYSA-N -1 1 271.284 -0.055 20 0 CBADMM O=C(Cc1nn[n-]n1)NC[C@@H](O)C1CCCCC1 ZINC001176845885 820470311 /nfs/dbraw/zinc/47/03/11/820470311.db2.gz UDIJONTYSHMWHK-SECBINFHSA-N -1 1 253.306 -0.200 20 0 CBADMM O=C(Cc1nn[n-]n1)Nc1cccc2c1CC(=O)NC2 ZINC001176845636 820470690 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CCCCNC(=O)NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825285068 582730481 /nfs/dbraw/zinc/73/04/81/582730481.db2.gz IKFBZJGBICTYHZ-UHFFFAOYSA-N -1 1 292.303 -0.311 20 0 CBADMM CCCCNC(=O)NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825285068 582730483 /nfs/dbraw/zinc/73/04/83/582730483.db2.gz IKFBZJGBICTYHZ-UHFFFAOYSA-N -1 1 292.303 -0.311 20 0 CBADMM CCNC(=O)CN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825471286 582736758 /nfs/dbraw/zinc/73/67/58/582736758.db2.gz QWGIMBDWHGPTBQ-UHFFFAOYSA-N -1 1 276.304 -0.381 20 0 CBADMM CCNC(=O)CN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825471286 582736759 /nfs/dbraw/zinc/73/67/59/582736759.db2.gz QWGIMBDWHGPTBQ-UHFFFAOYSA-N -1 1 276.304 -0.381 20 0 CBADMM CCNC(=O)Cn1ncc(C(=O)OCC)c1-c1nn[n-]n1 ZINC000825471557 582737321 /nfs/dbraw/zinc/73/73/21/582737321.db2.gz WFPCYQKPOUTONI-UHFFFAOYSA-N -1 1 293.287 -0.624 20 0 CBADMM C[C@H](CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)NC(=O)[O-] ZINC000825528774 582739784 /nfs/dbraw/zinc/73/97/84/582739784.db2.gz SMVFCTGEYXVYDZ-VWYCJHECSA-N -1 1 287.360 -0.054 20 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COC[C@H](O)CCNc1nccnc1-c1nn[n-]n1 ZINC000826151808 582762571 /nfs/dbraw/zinc/76/25/71/582762571.db2.gz JZJPKJOAKJGDGG-SSDOTTSWSA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(N)=O ZINC000826151779 582762577 /nfs/dbraw/zinc/76/25/77/582762577.db2.gz JJNVIAFTGDPECA-ZETCQYMHSA-N -1 1 263.261 -0.826 20 0 CBADMM COC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(N)=O ZINC000826151779 582762580 /nfs/dbraw/zinc/76/25/80/582762580.db2.gz JJNVIAFTGDPECA-ZETCQYMHSA-N -1 1 263.261 -0.826 20 0 CBADMM COC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(N)=O ZINC000826151482 582762699 /nfs/dbraw/zinc/76/26/99/582762699.db2.gz BTWJUXQQQXVQNC-LURJTMIESA-N -1 1 297.706 -0.173 20 0 CBADMM COC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(N)=O ZINC000826151482 582762702 /nfs/dbraw/zinc/76/27/02/582762702.db2.gz BTWJUXQQQXVQNC-LURJTMIESA-N -1 1 297.706 -0.173 20 0 CBADMM COCC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826154072 582763257 /nfs/dbraw/zinc/76/32/57/582763257.db2.gz HFKOPKPEVZCWHW-LLVKDONJSA-N -1 1 279.304 -0.144 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/nfs/dbraw/zinc/08/02/67/893080267.db2.gz UWQBRBRFOBTWSU-QMMMGPOBSA-N -1 1 294.319 -0.687 20 0 CBADMM CCCS(=O)(=O)CC(=O)NC1(c2nn[n-]n2)CCC1 ZINC001362836844 893092513 /nfs/dbraw/zinc/09/25/13/893092513.db2.gz SYKLOFRNRRUBSY-UHFFFAOYSA-N -1 1 287.345 -0.480 20 0 CBADMM CNC(=O)C1CCC(NC(=O)CCc2nn[n-]n2)CC1 ZINC001362858172 893113641 /nfs/dbraw/zinc/11/36/41/893113641.db2.gz KSYBTRZXCOZJSX-UHFFFAOYSA-N -1 1 280.332 -0.447 20 0 CBADMM Cc1cnc(C(=O)N2CCOC[C@H]2CC(N)=O)c([O-])c1 ZINC001362891978 893144032 /nfs/dbraw/zinc/14/40/32/893144032.db2.gz ZNOLWNMCXHYXIT-SECBINFHSA-N -1 1 279.296 -0.188 20 0 CBADMM CCCn1cc(C(=O)N[C@H](COC)c2nn[n-]n2)cn1 ZINC001362906676 893158828 /nfs/dbraw/zinc/15/88/28/893158828.db2.gz FRAGCOIYJHRCPT-SECBINFHSA-N -1 1 279.304 -0.076 20 0 CBADMM COC[C@H](NC(=O)C[C@H]1CCCC(=O)N1)c1nn[n-]n1 ZINC001362912280 893162366 /nfs/dbraw/zinc/16/23/66/893162366.db2.gz WLMOJWPGHMCOAE-SFYZADRCSA-N -1 1 282.304 -0.938 20 0 CBADMM COC[C@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)c1nn[n-]n1 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CCOC(=O)c1nc([C@@H](C)NC(=O)c2cn(C)nn2)n[n-]1 ZINC001363045740 893295727 /nfs/dbraw/zinc/29/57/27/893295727.db2.gz KFQPLCADQWFPBS-ZCFIWIBFSA-N -1 1 293.287 -0.399 20 0 CBADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cn(C)nn2)[n-]1 ZINC001363045740 893295745 /nfs/dbraw/zinc/29/57/45/893295745.db2.gz KFQPLCADQWFPBS-ZCFIWIBFSA-N -1 1 293.287 -0.399 20 0 CBADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cn(C)nn2)n1 ZINC001363045740 893295767 /nfs/dbraw/zinc/29/57/67/893295767.db2.gz KFQPLCADQWFPBS-ZCFIWIBFSA-N -1 1 293.287 -0.399 20 0 CBADMM O=C(CCCc1nn[n-]n1)NCc1cnc2n1CCOC2 ZINC001363050211 893303256 /nfs/dbraw/zinc/30/32/56/893303256.db2.gz NFHMDTMQIDYZAR-UHFFFAOYSA-N -1 1 291.315 -0.435 20 0 CBADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCNC(=O)[C@@H]1C ZINC001363050229 893305406 /nfs/dbraw/zinc/30/54/06/893305406.db2.gz NIWIUKRYOLKIAQ-LURJTMIESA-N -1 1 296.283 -0.753 20 0 CBADMM CC(C)(CN1CCOCC1)C(=O)NCCc1nc(=O)o[n-]1 ZINC001363092952 893347780 /nfs/dbraw/zinc/34/77/80/893347780.db2.gz 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CCOC(=O)c1nnc([C@H](C)NC(=O)CN(C)C(C)=O)[n-]1 ZINC001363232669 893478486 /nfs/dbraw/zinc/47/84/86/893478486.db2.gz RWCTXUQGSKSIBN-ZETCQYMHSA-N -1 1 297.315 -0.363 20 0 CBADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CN(C)C(C)=O)n1 ZINC001363232669 893478489 /nfs/dbraw/zinc/47/84/89/893478489.db2.gz RWCTXUQGSKSIBN-ZETCQYMHSA-N -1 1 297.315 -0.363 20 0 CBADMM CC(C)CN(Cc1nn[n-]n1)C(=O)Cn1nccc1N ZINC001363277985 893528200 /nfs/dbraw/zinc/52/82/00/893528200.db2.gz WYEUCSHAPUSDAL-UHFFFAOYSA-N -1 1 278.320 -0.337 20 0 CBADMM O=C(Cn1cccn1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001363294615 893553089 /nfs/dbraw/zinc/55/30/89/893553089.db2.gz RVQVBMWCHLLSGW-UHFFFAOYSA-N -1 1 289.295 -0.232 20 0 CBADMM O=C(c1cnncc1[O-])N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001363300851 893562133 /nfs/dbraw/zinc/56/21/33/893562133.db2.gz ZBPNIJLBEIMBTC-QWRGUYRKSA-N -1 1 292.295 -0.698 20 0 CBADMM CC(=O)N1CCCC[C@@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363314385 893570657 /nfs/dbraw/zinc/57/06/57/893570657.db2.gz 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NC(=O)CSCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001363397044 893645106 /nfs/dbraw/zinc/64/51/06/893645106.db2.gz IGQHICVXHDJYKL-QMMMGPOBSA-N -1 1 298.372 -0.801 20 0 CBADMM O=C(CCc1nn[n-]n1)N[C@@H]1CCN(C2CCC2)C1=O ZINC001363403595 893648195 /nfs/dbraw/zinc/64/81/95/893648195.db2.gz KDPMOIBOPKIUFG-SECBINFHSA-N -1 1 278.316 -0.598 20 0 CBADMM COC[C@@H](NC(=O)[C@@H]1CCCC(=O)N1C)c1nn[n-]n1 ZINC001363407996 893655032 /nfs/dbraw/zinc/65/50/32/893655032.db2.gz AIQQQAZOUWLPJV-SFYZADRCSA-N -1 1 282.304 -0.986 20 0 CBADMM Cn1c(=O)cccc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001363411761 893658033 /nfs/dbraw/zinc/65/80/33/893658033.db2.gz PCXBSPLMAKPYEL-SECBINFHSA-N -1 1 290.283 -0.888 20 0 CBADMM CCn1ncc(C(=O)N[C@@H](COC)c2nn[n-]n2)c1C ZINC001363414788 893658405 /nfs/dbraw/zinc/65/84/05/893658405.db2.gz MJWWVRXEHWSIEK-VIFPVBQESA-N -1 1 279.304 -0.158 20 0 CBADMM COCc1cc(C(=O)N[C@H](COC)c2nn[n-]n2)no1 ZINC001363414027 893658499 /nfs/dbraw/zinc/65/84/99/893658499.db2.gz KNCQQBXTNIJVAQ-MRVPVSSYSA-N -1 1 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CCN(CC)C(=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825406337 582735831 /nfs/dbraw/zinc/73/58/31/582735831.db2.gz KUEKTPGQKNJKEP-UHFFFAOYSA-N -1 1 276.304 -0.063 20 0 CBADMM CCN(CC)C(=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825406337 582735832 /nfs/dbraw/zinc/73/58/32/582735832.db2.gz KUEKTPGQKNJKEP-UHFFFAOYSA-N -1 1 276.304 -0.063 20 0 CBADMM CCNC(=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825464831 582736665 /nfs/dbraw/zinc/73/66/65/582736665.db2.gz DTUNKYZQOIOPRI-LURJTMIESA-N -1 1 262.277 -0.407 20 0 CBADMM CCNC(=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825464831 582736666 /nfs/dbraw/zinc/73/66/66/582736666.db2.gz DTUNKYZQOIOPRI-LURJTMIESA-N -1 1 262.277 -0.407 20 0 CBADMM CCNC(=O)C1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825464822 582736694 /nfs/dbraw/zinc/73/66/94/582736694.db2.gz DQQMXWXFGIZYFX-UHFFFAOYSA-N -1 1 274.288 -0.771 20 0 CBADMM CCNC(=O)C1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825464822 582736696 /nfs/dbraw/zinc/73/66/96/582736696.db2.gz DQQMXWXFGIZYFX-UHFFFAOYSA-N -1 1 274.288 -0.771 20 0 CBADMM CCOC(=O)CN(C)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825512059 582738206 /nfs/dbraw/zinc/73/82/06/582738206.db2.gz RJOBYKXCUPFMNP-UHFFFAOYSA-N -1 1 293.287 -0.915 20 0 CBADMM CCOC(=O)CN(C)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825512059 582738210 /nfs/dbraw/zinc/73/82/10/582738210.db2.gz RJOBYKXCUPFMNP-UHFFFAOYSA-N -1 1 293.287 -0.915 20 0 CBADMM CCOCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825600073 582741870 /nfs/dbraw/zinc/74/18/70/582741870.db2.gz YLHIHHRISOFCEX-UHFFFAOYSA-N -1 1 280.288 -0.142 20 0 CBADMM CCOCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825600073 582741874 /nfs/dbraw/zinc/74/18/74/582741874.db2.gz YLHIHHRISOFCEX-UHFFFAOYSA-N -1 1 280.288 -0.142 20 0 CBADMM C[C@]1(C(=O)NCCc2nc[nH]n2)CCN(C(=O)[O-])C1 ZINC000825672608 582743933 /nfs/dbraw/zinc/74/39/33/582743933.db2.gz HARGTLCYTBYKRV-NSHDSACASA-N -1 1 267.289 -0.147 20 0 CBADMM CCc1nnc(Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000825766621 582746411 /nfs/dbraw/zinc/74/64/11/582746411.db2.gz BJMAGBPIHMUGFS-UHFFFAOYSA-N -1 1 263.290 -0.080 20 0 CBADMM CC(=O)N1CCN(CCC(=O)N(C)CC(=O)[O-])[C@@H](C)C1 ZINC000825841314 582748590 /nfs/dbraw/zinc/74/85/90/582748590.db2.gz PYZIWYDARJWQOT-JTQLQIEISA-N -1 1 285.344 -0.528 20 0 CBADMM CN(CC(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825888937 582749906 /nfs/dbraw/zinc/74/99/06/582749906.db2.gz ZMXGUAZAIIYDPC-UHFFFAOYSA-N -1 1 288.315 -0.285 20 0 CBADMM CN(CC(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825888937 582749908 /nfs/dbraw/zinc/74/99/08/582749908.db2.gz ZMXGUAZAIIYDPC-UHFFFAOYSA-N -1 1 288.315 -0.285 20 0 CBADMM C[C@@H]1CCCN(CCS(N)(=O)=O)[C@@H]1CNC(=O)[O-] ZINC000825925387 582750867 /nfs/dbraw/zinc/75/08/67/582750867.db2.gz OYELRJYYVVCXIB-RKDXNWHRSA-N -1 1 279.362 -0.357 20 0 CBADMM C[C@H](C(=O)NCC(=O)[O-])N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000826000756 582754319 /nfs/dbraw/zinc/75/43/19/582754319.db2.gz QYURYWMUVPTRDX-GHMZBOCLSA-N -1 1 294.355 -0.126 20 0 CBADMM CN(C[C@@H]1CN(C)CCO1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826044642 582756086 /nfs/dbraw/zinc/75/60/86/582756086.db2.gz IRMPQLJNTZMKTE-VIFPVBQESA-N -1 1 290.331 -0.577 20 0 CBADMM CNC(=O)[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826051147 582757094 /nfs/dbraw/zinc/75/70/94/582757094.db2.gz IWUIYGUNSCYXKE-ZETCQYMHSA-N -1 1 276.304 -0.525 20 0 CBADMM CNC(=O)[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826051147 582757096 /nfs/dbraw/zinc/75/70/96/582757096.db2.gz IWUIYGUNSCYXKE-ZETCQYMHSA-N -1 1 276.304 -0.525 20 0 CBADMM CNC(=O)[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826059838 582757497 /nfs/dbraw/zinc/75/74/97/582757497.db2.gz ASRVGCOOACSOIK-YUMQZZPRSA-N -1 1 288.315 -0.017 20 0 CBADMM CNC(=O)[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826059838 582757500 /nfs/dbraw/zinc/75/75/00/582757500.db2.gz ASRVGCOOACSOIK-YUMQZZPRSA-N -1 1 288.315 -0.017 20 0 CBADMM CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826059836 582757652 /nfs/dbraw/zinc/75/76/52/582757652.db2.gz ASRVGCOOACSOIK-JGVFFNPUSA-N -1 1 288.315 -0.017 20 0 CBADMM CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826059836 582757655 /nfs/dbraw/zinc/75/76/55/582757655.db2.gz ASRVGCOOACSOIK-JGVFFNPUSA-N -1 1 288.315 -0.017 20 0 CBADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1nnc[nH]1 ZINC000826115914 582759733 /nfs/dbraw/zinc/75/97/33/582759733.db2.gz MOVKEHVFZFNYNT-SVRRBLITSA-N -1 1 283.288 -0.076 20 0 CBADMM COC1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826147046 582761655 /nfs/dbraw/zinc/76/16/55/582761655.db2.gz MFCSWRVEYOZMBI-UHFFFAOYSA-N -1 1 278.272 -0.437 20 0 CBADMM COC1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826147046 582761658 /nfs/dbraw/zinc/76/16/58/582761658.db2.gz MFCSWRVEYOZMBI-UHFFFAOYSA-N -1 1 278.272 -0.437 20 0 CBADMM COC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826148533 582762067 /nfs/dbraw/zinc/76/20/67/582762067.db2.gz KQWKQHAAYILYCL-JTQLQIEISA-N -1 1 265.277 -0.534 20 0 CBADMM COC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826148533 582762069 /nfs/dbraw/zinc/76/20/69/582762069.db2.gz KQWKQHAAYILYCL-JTQLQIEISA-N -1 1 265.277 -0.534 20 0 CBADMM COCC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826154073 582763191 /nfs/dbraw/zinc/76/31/91/582763191.db2.gz HFKOPKPEVZCWHW-NSHDSACASA-N -1 1 279.304 -0.144 20 0 CBADMM COCC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826154073 582763195 /nfs/dbraw/zinc/76/31/95/582763195.db2.gz HFKOPKPEVZCWHW-NSHDSACASA-N -1 1 279.304 -0.144 20 0 CBADMM C[S@@](=O)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826224677 582764959 /nfs/dbraw/zinc/76/49/59/582764959.db2.gz JYHJIKJBCMHBGM-GOSISDBHSA-N -1 1 267.318 -0.163 20 0 CBADMM C[S@@](=O)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826224677 582764960 /nfs/dbraw/zinc/76/49/60/582764960.db2.gz JYHJIKJBCMHBGM-GOSISDBHSA-N -1 1 267.318 -0.163 20 0 CBADMM Cc1nc(CNc2ccc(-c3nnn[n-]3)nn2)no1 ZINC000826326609 582766442 /nfs/dbraw/zinc/76/64/42/582766442.db2.gz XBNVGPVHXIQUHO-UHFFFAOYSA-N -1 1 259.233 -0.040 20 0 CBADMM Cc1nc(CNc2ccc(-c3nn[n-]n3)nn2)no1 ZINC000826326609 582766444 /nfs/dbraw/zinc/76/64/44/582766444.db2.gz XBNVGPVHXIQUHO-UHFFFAOYSA-N -1 1 259.233 -0.040 20 0 CBADMM Cc1onc(CC(=O)NC[C@H](C)CCO)c1-c1nnn[n-]1 ZINC000826346218 582767318 /nfs/dbraw/zinc/76/73/18/582767318.db2.gz GSWWVDYVFFJQCP-SSDOTTSWSA-N -1 1 294.315 -0.160 20 0 CBADMM Cc1onc(CC(=O)NC[C@H](C)CCO)c1-c1nn[n-]n1 ZINC000826346218 582767321 /nfs/dbraw/zinc/76/73/21/582767321.db2.gz GSWWVDYVFFJQCP-SSDOTTSWSA-N -1 1 294.315 -0.160 20 0 CBADMM Cc1onc(CC(=O)NC[C@@H](O)C2CC2)c1-c1nnn[n-]1 ZINC000826346244 582767383 /nfs/dbraw/zinc/76/73/83/582767383.db2.gz HIDNLYNQXDNMHJ-SECBINFHSA-N -1 1 292.299 -0.407 20 0 CBADMM Cc1onc(CC(=O)NC[C@@H](O)C2CC2)c1-c1nn[n-]n1 ZINC000826346244 582767385 /nfs/dbraw/zinc/76/73/85/582767385.db2.gz HIDNLYNQXDNMHJ-SECBINFHSA-N -1 1 292.299 -0.407 20 0 CBADMM Cc1onc(CC(=O)N[C@@H](C)CCO)c1-c1nnn[n-]1 ZINC000826345649 582767570 /nfs/dbraw/zinc/76/75/70/582767570.db2.gz PZTMKWQEHZGKFQ-LURJTMIESA-N -1 1 280.288 -0.407 20 0 CBADMM Cc1onc(CC(=O)N[C@@H](C)CCO)c1-c1nn[n-]n1 ZINC000826345649 582767574 /nfs/dbraw/zinc/76/75/74/582767574.db2.gz PZTMKWQEHZGKFQ-LURJTMIESA-N -1 1 280.288 -0.407 20 0 CBADMM Cc1onc(CC(=O)N[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826346711 582767908 /nfs/dbraw/zinc/76/79/08/582767908.db2.gz UECHLZRQUUXOPO-SSDOTTSWSA-N -1 1 278.272 -0.389 20 0 CBADMM Cc1onc(CC(=O)N[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826346711 582767910 /nfs/dbraw/zinc/76/79/10/582767910.db2.gz UECHLZRQUUXOPO-SSDOTTSWSA-N -1 1 278.272 -0.389 20 0 CBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCOC2)n1 ZINC000826356940 582768051 /nfs/dbraw/zinc/76/80/51/582768051.db2.gz LLHWRCYSLSBIDO-ZCFIWIBFSA-N -1 1 278.276 -0.489 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCOC2)n1 ZINC000826356940 582768054 /nfs/dbraw/zinc/76/80/54/582768054.db2.gz LLHWRCYSLSBIDO-ZCFIWIBFSA-N -1 1 278.276 -0.489 20 0 CBADMM Cc1onc(CC(=O)NCC(C)(C)O)c1-c1nnn[n-]1 ZINC000826346957 582768195 /nfs/dbraw/zinc/76/81/95/582768195.db2.gz ZNEAHJRTXMWNKR-UHFFFAOYSA-N -1 1 280.288 -0.407 20 0 CBADMM Cc1onc(CC(=O)NCC(C)(C)O)c1-c1nn[n-]n1 ZINC000826346957 582768198 /nfs/dbraw/zinc/76/81/98/582768198.db2.gz ZNEAHJRTXMWNKR-UHFFFAOYSA-N -1 1 280.288 -0.407 20 0 CBADMM NC(=O)C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826391009 582770599 /nfs/dbraw/zinc/77/05/99/582770599.db2.gz TYYVGHUZPXJYMR-MRVPVSSYSA-N -1 1 288.315 -0.109 20 0 CBADMM NC(=O)C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826391009 582770602 /nfs/dbraw/zinc/77/06/02/582770602.db2.gz TYYVGHUZPXJYMR-MRVPVSSYSA-N -1 1 288.315 -0.109 20 0 CBADMM NC(=O)C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826391010 582770736 /nfs/dbraw/zinc/77/07/36/582770736.db2.gz TYYVGHUZPXJYMR-QMMMGPOBSA-N -1 1 288.315 -0.109 20 0 CBADMM NC(=O)C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826391010 582770738 /nfs/dbraw/zinc/77/07/38/582770738.db2.gz TYYVGHUZPXJYMR-QMMMGPOBSA-N -1 1 288.315 -0.109 20 0 CBADMM NC(=O)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826391696 582771229 /nfs/dbraw/zinc/77/12/29/582771229.db2.gz XTDDEOQHNQHAJJ-UHFFFAOYSA-N -1 1 267.270 -0.040 20 0 CBADMM NC(=O)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826391696 582771231 /nfs/dbraw/zinc/77/12/31/582771231.db2.gz XTDDEOQHNQHAJJ-UHFFFAOYSA-N -1 1 267.270 -0.040 20 0 CBADMM NC(=O)NC(=O)CCNc1cccc(-c2nnn[n-]2)n1 ZINC000826392415 582771272 /nfs/dbraw/zinc/77/12/72/582771272.db2.gz XRMMDIMGDQWRLY-UHFFFAOYSA-N -1 1 276.260 -0.741 20 0 CBADMM NC(=O)NC(=O)CCNc1cccc(-c2nn[n-]n2)n1 ZINC000826392415 582771276 /nfs/dbraw/zinc/77/12/76/582771276.db2.gz XRMMDIMGDQWRLY-UHFFFAOYSA-N -1 1 276.260 -0.741 20 0 CBADMM O=C1CCC(=O)N1CCn1ccnc1-c1nnn[n-]1 ZINC000826480083 582775935 /nfs/dbraw/zinc/77/59/35/582775935.db2.gz QSJIRMHNCVSTIC-UHFFFAOYSA-N -1 1 261.245 -0.788 20 0 CBADMM O=C1CCC(=O)N1CCn1ccnc1-c1nn[n-]n1 ZINC000826480083 582775938 /nfs/dbraw/zinc/77/59/38/582775938.db2.gz QSJIRMHNCVSTIC-UHFFFAOYSA-N -1 1 261.245 -0.788 20 0 CBADMM O=C1CN(c2ccc(-c3nnn[n-]3)nn2)CCN1C1CC1 ZINC000826481512 582776199 /nfs/dbraw/zinc/77/61/99/582776199.db2.gz XVQLYFJOQRJTIP-UHFFFAOYSA-N -1 1 286.299 -0.532 20 0 CBADMM O=C1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1C1CC1 ZINC000826481512 582776202 /nfs/dbraw/zinc/77/62/02/582776202.db2.gz XVQLYFJOQRJTIP-UHFFFAOYSA-N -1 1 286.299 -0.532 20 0 CBADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC000826502759 582777378 /nfs/dbraw/zinc/77/73/78/582777378.db2.gz KBLOUJXWPPOLAY-YFKPBYRVSA-N -1 1 275.194 -0.008 20 0 CBADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC000826502759 582777380 /nfs/dbraw/zinc/77/73/80/582777380.db2.gz KBLOUJXWPPOLAY-YFKPBYRVSA-N -1 1 275.194 -0.008 20 0 CBADMM O[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCSC1 ZINC000826505940 582777389 /nfs/dbraw/zinc/77/73/89/582777389.db2.gz ISYGHPBCQOCEHU-SNVBAGLBSA-N -1 1 279.329 -0.063 20 0 CBADMM O[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCSC1 ZINC000826505940 582777391 /nfs/dbraw/zinc/77/73/91/582777391.db2.gz ISYGHPBCQOCEHU-SNVBAGLBSA-N -1 1 279.329 -0.063 20 0 CBADMM O[C@@]1(CNc2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC000826506061 582777401 /nfs/dbraw/zinc/77/74/01/582777401.db2.gz LWAOTOKGYGPDAC-LLVKDONJSA-N -1 1 262.273 -0.175 20 0 CBADMM O[C@@]1(CNc2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC000826506061 582777402 /nfs/dbraw/zinc/77/74/02/582777402.db2.gz 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582651522 /nfs/dbraw/zinc/65/15/22/582651522.db2.gz UGQJODHWLXCJMO-UHFFFAOYSA-N -1 1 286.255 -0.039 20 0 CBADMM NC(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)o1 ZINC000822885713 582651524 /nfs/dbraw/zinc/65/15/24/582651524.db2.gz UGQJODHWLXCJMO-UHFFFAOYSA-N -1 1 286.255 -0.039 20 0 CBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cncc(F)c1 ZINC000822903776 582652626 /nfs/dbraw/zinc/65/26/26/582652626.db2.gz OJTKEKIPHWVSEQ-UHFFFAOYSA-N -1 1 274.219 -0.132 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC1CCC1 ZINC000823126301 582659723 /nfs/dbraw/zinc/65/97/23/582659723.db2.gz HIZLKMTYSTVYEH-UHFFFAOYSA-N -1 1 276.304 -0.235 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CCCS1 ZINC000823127282 582659831 /nfs/dbraw/zinc/65/98/31/582659831.db2.gz YXEWHIRTSZLJIT-SSDOTTSWSA-N -1 1 294.344 -0.530 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1O ZINC000823136022 582659973 /nfs/dbraw/zinc/65/99/73/582659973.db2.gz GMBAYTIFIKBOOP-UHFFFAOYSA-N -1 1 286.255 -0.198 20 0 CBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(F)nc1 ZINC000823135968 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NMLURWLVMLGGCH-SSDOTTSWSA-N -1 1 298.328 -0.689 20 0 CBADMM C[C@@H](CN(C)C(=O)[O-])C(=O)NC[C@@H]1CN(C)CCN1C ZINC000824855229 582713066 /nfs/dbraw/zinc/71/30/66/582713066.db2.gz PRHRQJXUSBVGOO-WDEREUQCSA-N -1 1 286.376 -0.406 20 0 CBADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H]1O ZINC000824975012 582717770 /nfs/dbraw/zinc/71/77/70/582717770.db2.gz IDNYKLMGCFWFQX-XPUUQOCRSA-N -1 1 292.303 -0.555 20 0 CBADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H]1O ZINC000824975012 582717771 /nfs/dbraw/zinc/71/77/71/582717771.db2.gz IDNYKLMGCFWFQX-XPUUQOCRSA-N -1 1 292.303 -0.555 20 0 CBADMM C[C@@H]1CO[C@@H](CO)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825007596 582719333 /nfs/dbraw/zinc/71/93/33/582719333.db2.gz ZSMZGTBXMNZMMR-HTQZYQBOSA-N -1 1 277.288 -0.757 20 0 CBADMM C[C@@H]1CO[C@@H](CO)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825007596 582719337 /nfs/dbraw/zinc/71/93/37/582719337.db2.gz ZSMZGTBXMNZMMR-HTQZYQBOSA-N -1 1 277.288 -0.757 20 0 CBADMM C[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nnc[nH]1 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CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825471129 582736773 /nfs/dbraw/zinc/73/67/73/582736773.db2.gz NIGWSOWOFNYOMC-UHFFFAOYSA-N -1 1 293.335 -0.234 20 0 CBADMM CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825471129 582736774 /nfs/dbraw/zinc/73/67/74/582736774.db2.gz NIGWSOWOFNYOMC-UHFFFAOYSA-N -1 1 293.335 -0.234 20 0 CBADMM CCNC(=O)CN(C)c1cccc(-c2nnn[n-]2)n1 ZINC000825471361 582736778 /nfs/dbraw/zinc/73/67/78/582736778.db2.gz SQPJQYDLRLDRBV-UHFFFAOYSA-N -1 1 261.289 -0.166 20 0 CBADMM CCNC(=O)CN(C)c1cccc(-c2nn[n-]n2)n1 ZINC000825471361 582736780 /nfs/dbraw/zinc/73/67/80/582736780.db2.gz SQPJQYDLRLDRBV-UHFFFAOYSA-N -1 1 261.289 -0.166 20 0 CBADMM C[C@H](O)CCN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825520712 582738488 /nfs/dbraw/zinc/73/84/88/582738488.db2.gz DVXRNFJPGVNIAK-JTQLQIEISA-N -1 1 273.333 -0.489 20 0 CBADMM CCSCCn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000825674034 582743756 /nfs/dbraw/zinc/74/37/56/582743756.db2.gz GGAMJRDKZIZMLR-UHFFFAOYSA-N -1 1 282.329 -0.520 20 0 CBADMM C[C@@]1(C(=O)NCCc2nc[nH]n2)CCN(C(=O)[O-])C1 ZINC000825672605 582743872 /nfs/dbraw/zinc/74/38/72/582743872.db2.gz HARGTLCYTBYKRV-LLVKDONJSA-N -1 1 267.289 -0.147 20 0 CBADMM CN(C)C(=O)NCCN(C)c1cccc(-c2nnn[n-]2)n1 ZINC000825845453 582748657 /nfs/dbraw/zinc/74/86/57/582748657.db2.gz JGQPBUKYQPUDKV-UHFFFAOYSA-N -1 1 290.331 -0.031 20 0 CBADMM CN(C)C(=O)NCCN(C)c1cccc(-c2nn[n-]n2)n1 ZINC000825845453 582748659 /nfs/dbraw/zinc/74/86/59/582748659.db2.gz JGQPBUKYQPUDKV-UHFFFAOYSA-N -1 1 290.331 -0.031 20 0 CBADMM CC(=O)NC(C)(C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000825855406 582748847 /nfs/dbraw/zinc/74/88/47/582748847.db2.gz ZWBLIDPJQIKVCU-SNVBAGLBSA-N -1 1 299.371 -0.092 20 0 CBADMM C[C@H]1CCCN(CCNS(C)(=O)=O)[C@H]1CNC(=O)[O-] ZINC000825924603 582750617 /nfs/dbraw/zinc/75/06/17/582750617.db2.gz JIOYYNVNURSHOE-UWVGGRQHSA-N -1 1 293.389 -0.096 20 0 CBADMM COC(=O)[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826098613 582758983 /nfs/dbraw/zinc/75/89/83/582758983.db2.gz JZIOFUDPODIOSC-ZETCQYMHSA-N -1 1 277.288 -0.098 20 0 CBADMM COC(=O)[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826098613 582758985 /nfs/dbraw/zinc/75/89/85/582758985.db2.gz JZIOFUDPODIOSC-ZETCQYMHSA-N -1 1 277.288 -0.098 20 0 CBADMM COC1(C)CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826143570 582761641 /nfs/dbraw/zinc/76/16/41/582761641.db2.gz GLMKKGJFBGKZKY-UHFFFAOYSA-N -1 1 292.299 -0.047 20 0 CBADMM COC1(C)CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826143570 582761645 /nfs/dbraw/zinc/76/16/45/582761645.db2.gz GLMKKGJFBGKZKY-UHFFFAOYSA-N -1 1 292.299 -0.047 20 0 CBADMM COC[C@@](C)(O)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826148200 582762167 /nfs/dbraw/zinc/76/21/67/582762167.db2.gz CABMOXKLDVSYIK-GFCCVEGCSA-N -1 1 293.283 -0.298 20 0 CBADMM COC[C@@](C)(O)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826148200 582762170 /nfs/dbraw/zinc/76/21/70/582762170.db2.gz CABMOXKLDVSYIK-GFCCVEGCSA-N -1 1 293.283 -0.298 20 0 CBADMM COCCCOC1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826156421 582763912 /nfs/dbraw/zinc/76/39/12/582763912.db2.gz CCWBIOJZOVWDIW-UHFFFAOYSA-N -1 1 291.315 -0.102 20 0 CBADMM COCCCOC1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826156421 582763913 /nfs/dbraw/zinc/76/39/13/582763913.db2.gz CCWBIOJZOVWDIW-UHFFFAOYSA-N -1 1 291.315 -0.102 20 0 CBADMM CS[C@H](C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826225886 582764943 /nfs/dbraw/zinc/76/49/43/582764943.db2.gz MXYJWWXVXKRBDB-ZCFIWIBFSA-N -1 1 282.333 -0.674 20 0 CBADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1nnn[n-]1 ZINC000826251642 582765354 /nfs/dbraw/zinc/76/53/54/582765354.db2.gz WODDOBPAHSVLDD-UHFFFAOYSA-N -1 1 271.244 -0.059 20 0 CBADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1nn[n-]n1 ZINC000826251642 582765356 /nfs/dbraw/zinc/76/53/56/582765356.db2.gz WODDOBPAHSVLDD-UHFFFAOYSA-N -1 1 271.244 -0.059 20 0 CBADMM Cc1onc(CC(=O)NC(C)(C)[C@H](C)O)c1-c1nnn[n-]1 ZINC000826345124 582767447 /nfs/dbraw/zinc/76/74/47/582767447.db2.gz CNSBLFZQNSKBAC-ZETCQYMHSA-N -1 1 294.315 -0.019 20 0 CBADMM Cc1onc(CC(=O)NC(C)(C)[C@H](C)O)c1-c1nn[n-]n1 ZINC000826345124 582767449 /nfs/dbraw/zinc/76/74/49/582767449.db2.gz CNSBLFZQNSKBAC-ZETCQYMHSA-N -1 1 294.315 -0.019 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[Si](C)(C)C)c1=O ZINC000826357067 582768261 /nfs/dbraw/zinc/76/82/61/582768261.db2.gz PVHKHJXZPQCHDD-UHFFFAOYSA-N -1 1 280.364 -0.396 20 0 CBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCCOC2)c1=O ZINC000826356630 582768270 /nfs/dbraw/zinc/76/82/70/582768270.db2.gz ZBCHFBGGLMABSA-QMMMGPOBSA-N -1 1 292.299 -0.846 20 0 CBADMM NC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC000826389729 582770752 /nfs/dbraw/zinc/77/07/52/582770752.db2.gz GUALSCIYZAEPLW-UHFFFAOYSA-N -1 1 287.283 -0.601 20 0 CBADMM NC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC000826389729 582770754 /nfs/dbraw/zinc/77/07/54/582770754.db2.gz GUALSCIYZAEPLW-UHFFFAOYSA-N -1 1 287.283 -0.601 20 0 CBADMM NC(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826390192 582770934 /nfs/dbraw/zinc/77/09/34/582770934.db2.gz SIUVZTCVUKRQRX-SSDOTTSWSA-N -1 1 274.288 -0.642 20 0 CBADMM NC(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826390192 582770935 /nfs/dbraw/zinc/77/09/35/582770935.db2.gz SIUVZTCVUKRQRX-SSDOTTSWSA-N -1 1 274.288 -0.642 20 0 CBADMM NC(=O)NC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826391960 582771335 /nfs/dbraw/zinc/77/13/35/582771335.db2.gz IVSSEYGKLKFGEV-UHFFFAOYSA-N -1 1 288.315 -0.101 20 0 CBADMM NC(=O)NC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826391960 582771336 /nfs/dbraw/zinc/77/13/36/582771336.db2.gz IVSSEYGKLKFGEV-UHFFFAOYSA-N -1 1 288.315 -0.101 20 0 CBADMM NC(=O)NC(=O)OCCCn1ccnc1-c1nnn[n-]1 ZINC000826392005 582771387 /nfs/dbraw/zinc/77/13/87/582771387.db2.gz KSRKBUIZNGHZCI-UHFFFAOYSA-N -1 1 280.248 -0.742 20 0 CBADMM NC(=O)NC(=O)OCCCn1ccnc1-c1nn[n-]n1 ZINC000826392005 582771389 /nfs/dbraw/zinc/77/13/89/582771389.db2.gz KSRKBUIZNGHZCI-UHFFFAOYSA-N -1 1 280.248 -0.742 20 0 CBADMM NC(=O)CONC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826391272 582771517 /nfs/dbraw/zinc/77/15/17/582771517.db2.gz DHCGZLGPJQZPHB-UHFFFAOYSA-N -1 1 268.258 -0.925 20 0 CBADMM NC(=O)CONC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826391272 582771521 /nfs/dbraw/zinc/77/15/21/582771521.db2.gz DHCGZLGPJQZPHB-UHFFFAOYSA-N -1 1 268.258 -0.925 20 0 CBADMM NC(=O)OCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826393031 582771786 /nfs/dbraw/zinc/77/17/86/582771786.db2.gz YRPYQGOUHSKJFA-UHFFFAOYSA-N -1 1 277.244 -0.499 20 0 CBADMM NC(=O)OCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826393031 582771788 /nfs/dbraw/zinc/77/17/88/582771788.db2.gz YRPYQGOUHSKJFA-UHFFFAOYSA-N -1 1 277.244 -0.499 20 0 CBADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCCC1=O ZINC000826479752 582775728 /nfs/dbraw/zinc/77/57/28/582775728.db2.gz HLBSFUUXKUJULX-UHFFFAOYSA-N -1 1 261.245 -0.788 20 0 CBADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCCC1=O ZINC000826479752 582775731 /nfs/dbraw/zinc/77/57/31/582775731.db2.gz HLBSFUUXKUJULX-UHFFFAOYSA-N -1 1 261.245 -0.788 20 0 CBADMM O=C1N[C@H](c2ccc(-c3nnn[n-]3)o2)N2CCOC[C@@H]12 ZINC000826482050 582776550 /nfs/dbraw/zinc/77/65/50/582776550.db2.gz QIGBHKAQIXXTOH-WKEGUHRASA-N -1 1 276.256 -0.711 20 0 CBADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)o2)N2CCOC[C@@H]12 ZINC000826482050 582776551 /nfs/dbraw/zinc/77/65/51/582776551.db2.gz QIGBHKAQIXXTOH-WKEGUHRASA-N -1 1 276.256 -0.711 20 0 CBADMM O[C@@H](COc1ccccc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826505092 582777364 /nfs/dbraw/zinc/77/73/64/582777364.db2.gz MEXYVHWHROWHNJ-SECBINFHSA-N -1 1 287.283 -0.102 20 0 CBADMM O[C@H](COCc1ccco1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826503803 582777441 /nfs/dbraw/zinc/77/74/41/582777441.db2.gz GTNMYQCTZHFGLO-QMMMGPOBSA-N -1 1 291.271 -0.371 20 0 CBADMM OCCOCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826510360 582778526 /nfs/dbraw/zinc/77/85/26/582778526.db2.gz MMECWHANCURUSF-UHFFFAOYSA-N -1 1 265.277 -0.532 20 0 CBADMM OCCOCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826510360 582778527 /nfs/dbraw/zinc/77/85/27/582778527.db2.gz MMECWHANCURUSF-UHFFFAOYSA-N -1 1 265.277 -0.532 20 0 CBADMM c1cn(CCNc2cccc(-c3nnn[n-]3)n2)nn1 ZINC000826516773 582779184 /nfs/dbraw/zinc/77/91/84/582779184.db2.gz AWCXCXWDEDDPLK-UHFFFAOYSA-N -1 1 257.261 -0.035 20 0 CBADMM c1cn(CCNc2cccc(-c3nn[n-]n3)n2)nn1 ZINC000826516773 582779187 /nfs/dbraw/zinc/77/91/87/582779187.db2.gz AWCXCXWDEDDPLK-UHFFFAOYSA-N -1 1 257.261 -0.035 20 0 CBADMM c1cn(Cc2nnnn2C2CC2)c(-c2nnn[n-]2)n1 ZINC000826525022 582779380 /nfs/dbraw/zinc/77/93/80/582779380.db2.gz SLBSREPWCCFPQD-UHFFFAOYSA-N -1 1 258.249 -0.567 20 0 CBADMM c1cn(Cc2nnnn2C2CC2)c(-c2nn[n-]n2)n1 ZINC000826525022 582779383 /nfs/dbraw/zinc/77/93/83/582779383.db2.gz SLBSREPWCCFPQD-UHFFFAOYSA-N -1 1 258.249 -0.567 20 0 CBADMM c1cn(CCNc2ccc(-c3nnn[n-]3)nn2)nn1 ZINC000826524877 582779570 /nfs/dbraw/zinc/77/95/70/582779570.db2.gz NPKYQVHIWQOQRM-UHFFFAOYSA-N -1 1 258.249 -0.640 20 0 CBADMM c1cn(CCNc2ccc(-c3nn[n-]n3)nn2)nn1 ZINC000826524877 582779571 /nfs/dbraw/zinc/77/95/71/582779571.db2.gz NPKYQVHIWQOQRM-UHFFFAOYSA-N -1 1 258.249 -0.640 20 0 CBADMM c1cnc(N2CCN(C3COC3)CC2)c(-c2nnn[n-]2)n1 ZINC000826525469 582779970 /nfs/dbraw/zinc/77/99/70/582779970.db2.gz LQUWPAYABRAJAH-UHFFFAOYSA-N -1 1 288.315 -0.823 20 0 CBADMM 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