smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCC[C@H]1NC(=S)NC(=O)C1C#N ZINC000104212270 432015229 /nfs/dbraw/zinc/01/52/29/432015229.db2.gz BRBYBXAEVFZZFR-UONOGXRCSA-N 0 1 309.479 3.420 40 30 DGEBMN COc1cc(/C=C/C(=O)c2cc(F)ccc2O)cc(OC)c1O ZINC000016159383 182036160 /nfs/dbraw/zinc/03/61/60/182036160.db2.gz HGASVACQEFKUBG-HWKANZROSA-N 0 1 318.300 3.150 40 30 DGEBMN COc1ccccc1[C@@H]1CC(=O)C2=CN[C@@H]3CCCC[C@H]3N=C2C1 ZINC000250408725 257214153 /nfs/dbraw/zinc/21/41/53/257214153.db2.gz VNHDAOAMUWRFGL-IAOVAPTHSA-N 0 1 324.424 3.381 40 30 DGEBMN COc1cc2c(cc1OC)C(C#N)N(C(=O)c1ccccc1)C=C2 ZINC000000044620 431115295 /nfs/dbraw/zinc/11/52/95/431115295.db2.gz XKGZIADZUWYMKL-MRXNPFEDSA-N 0 1 320.348 3.395 40 30 DGEBMN O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000100964814 431983461 /nfs/dbraw/zinc/98/34/61/431983461.db2.gz HAQZVLLLONTIBB-OKZSJMTASA-N 0 1 319.836 3.091 40 30 DGEBMN COc1ccc2nc(S[C@H]3/C(=N\O)[C@H]4CC[C@@H]3C4)[nH]c2c1 ZINC000100965087 431983713 /nfs/dbraw/zinc/98/37/13/431983713.db2.gz CAMKXDXQEMZMQQ-QWNLACKOSA-N 0 1 303.387 3.292 40 30 DGEBMN COc1ccc(C(C)=NN=c2[nH]c3ccccc3n2C)cc1OC ZINC000408660526 434589296 /nfs/dbraw/zinc/58/92/96/434589296.db2.gz QGRXVXMEEOKQLI-NDENLUEZSA-N 0 1 324.384 3.427 40 30 DGEBMN Cc1ccc(NC(=O)COc2ccccc2/C=N\O)cc1Cl ZINC000409266001 434600172 /nfs/dbraw/zinc/60/01/72/434600172.db2.gz VPYWIYUIPNWNML-NVMNQCDNSA-N 0 1 318.760 3.474 40 30 DGEBMN Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\O ZINC000409253627 434600333 /nfs/dbraw/zinc/60/03/33/434600333.db2.gz XMDILZMJNGLCPP-NVMNQCDNSA-N 0 1 318.760 3.474 40 30 DGEBMN N#Cc1c2[nH]c3ccccc3n2c(=O)c(-c2ccccc2)c1O ZINC000104230910 283081835 /nfs/dbraw/zinc/08/18/35/283081835.db2.gz GYTCITTXUMWZDB-UHFFFAOYSA-N 0 1 301.305 3.025 40 30 DGEBMN Cc1cc(NN=Cc2ccccn2)c2cc3c(cc2n1)OCO3 ZINC000005392931 181238945 /nfs/dbraw/zinc/23/89/45/181238945.db2.gz VSINJUDPTNWJLU-OCKHKDLRSA-N 0 1 306.325 3.113 40 30 DGEBMN COc1cc(C)c([C@H](C)NCc2ccc(C#N)o2)cc1OC ZINC000237302637 202224391 /nfs/dbraw/zinc/22/43/91/202224391.db2.gz XCBCOOZTXKBCMU-LBPRGKRZSA-N 0 1 300.358 3.328 40 30 DGEBMN CNC(=N)NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001871529 431242158 /nfs/dbraw/zinc/24/21/58/431242158.db2.gz COCDSDYGWIOZDI-UHFFFAOYSA-N 0 1 321.211 3.490 40 30 DGEBMN C=CCOC[C@@H]1C[C@H]2OCCN(Cc3ccc(C)s3)[C@@H]2C1 ZINC000096082743 431938105 /nfs/dbraw/zinc/93/81/05/431938105.db2.gz MXUCCCRSUMCQJF-USXIJHARSA-N 0 1 307.459 3.239 40 30 DGEBMN Cc1ccsc1[C@@H]1[C@@H](C#N)C(=O)Nc2nc3ccccc3n21 ZINC000020638124 302312359 /nfs/dbraw/zinc/31/23/59/302312359.db2.gz KZWGGXSIEGFBCX-MFKMUULPSA-N 0 1 308.366 3.088 40 30 DGEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c(c2)OCCO3)c1O ZINC000035189308 525556413 /nfs/dbraw/zinc/55/64/13/525556413.db2.gz DJLDVGXNCRIAHI-RQZCQDPDSA-N 0 1 314.297 3.131 40 30 DGEBMN CCCCCCCCCCC[C@H]1NC(=S)NC(=O)C1C#N ZINC000104212281 432015955 /nfs/dbraw/zinc/01/59/55/432015955.db2.gz BRBYBXAEVFZZFR-ZIAGYGMSSA-N 0 1 309.479 3.420 40 30 DGEBMN C=CCN(CC=C)Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392337 191148021 /nfs/dbraw/zinc/14/80/21/191148021.db2.gz PEGBICCBMMFGDK-UHFFFAOYSA-N 0 1 323.375 3.104 40 30 DGEBMN COc1cc(/C=C\C(=O)c2ccccc2O)cc(OC)c1OC ZINC000005665623 181269474 /nfs/dbraw/zinc/26/94/74/181269474.db2.gz SRSBUHVXNLHWHU-HJWRWDBZSA-N 0 1 314.337 3.314 40 30 DGEBMN CCc1n[nH]c(=S)n1N=Cc1ccc(N(CC)CC)cc1 ZINC000006473904 181343380 /nfs/dbraw/zinc/34/33/80/181343380.db2.gz WSQSMLFXNBLUCS-LFIBNONCSA-N 0 1 303.435 3.231 40 30 DGEBMN C[C@H](c1cccc(C#N)c1)N1CCN(c2ccc(O)cc2)CC1 ZINC000189343680 165158011 /nfs/dbraw/zinc/15/80/11/165158011.db2.gz BUNOAGSODVALKR-OAHLLOKOSA-N 0 1 307.397 3.147 40 30 DGEBMN COc1ccc(C(C)=NN=c2[nH]c3ccccc3[nH]2)cc1OC ZINC000038204210 431854736 /nfs/dbraw/zinc/85/47/36/431854736.db2.gz GXJYIOZSBAJANT-JAIQZWGSSA-N 0 1 310.357 3.416 40 30 DGEBMN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408740434 434592807 /nfs/dbraw/zinc/59/28/07/434592807.db2.gz KPAMYXKFPGQYJD-GYKGCMEESA-N 0 1 322.324 3.336 40 30 DGEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000408740434 434592811 /nfs/dbraw/zinc/59/28/11/434592811.db2.gz KPAMYXKFPGQYJD-GYKGCMEESA-N 0 1 322.324 3.336 40 30 DGEBMN O=C(C=Cc1ccc(O)cc1)C=C(O)C=Cc1ccc(O)cc1 ZINC000031430473 527654958 /nfs/dbraw/zinc/65/49/58/527654958.db2.gz PREBVFJICNPEKM-CBIKUMSCSA-N 0 1 308.333 3.353 40 30 DGEBMN CNC(=N)NN=C(C)c1ccc2c(c1)Cc1cc(Cl)ccc1-2 ZINC000017125810 182076541 /nfs/dbraw/zinc/07/65/41/182076541.db2.gz OJVBAHXCEISAJN-UFFVCSGVSA-N 0 1 312.804 3.169 40 30 DGEBMN N=C1SC(=Cc2cccc(O)c2)C(O)=C1c1nccs1 ZINC000138169315 400595966 /nfs/dbraw/zinc/59/59/66/400595966.db2.gz ROHFSZUDRPZKDC-NDWBMXITSA-N 0 1 302.380 3.267 40 30 DGEBMN CN(C)/C=N/c1c(CO)c(-c2ccccc2)nn1-c1ccccc1 ZINC000001564512 431228584 /nfs/dbraw/zinc/22/85/84/431228584.db2.gz LRAVNLMEPICHJE-XSFVSMFZSA-N 0 1 320.396 3.253 40 30 DGEBMN CC(=O)/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)CCN(C)C ZINC000001589115 431232901 /nfs/dbraw/zinc/23/29/01/431232901.db2.gz GYPHYBSVOFRSNG-UVTDQMKNSA-N 0 1 313.319 3.199 40 30 DGEBMN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C#N ZINC000005439254 431307560 /nfs/dbraw/zinc/30/75/60/431307560.db2.gz PLIJAYXVZSWMJM-BJJXKVORSA-N 0 1 300.402 3.173 40 30 DGEBMN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C#N ZINC000005439251 431307700 /nfs/dbraw/zinc/30/77/00/431307700.db2.gz PLIJAYXVZSWMJM-XPKDYRNWSA-N 0 1 300.402 3.173 40 30 DGEBMN COc1cccc(CN=Nc2ccc(C(F)(F)F)cn2)c1O ZINC000097991720 431976259 /nfs/dbraw/zinc/97/62/59/431976259.db2.gz QEVFRGTVFJEXSO-GXHLCREISA-N 0 1 311.263 3.261 40 30 DGEBMN N#Cc1ccc2nc([C@H]3CCN(C(=O)c4ccccc4)C3)[nH]c2c1 ZINC000049168766 431937377 /nfs/dbraw/zinc/93/73/77/431937377.db2.gz RWXBVPUOYISHGR-HNNXBMFYSA-N 0 1 316.364 3.064 40 30 biogenic,in-vitro DGEBMN COc1ccc(/C=C/C(=O)c2c(O)cc(OC)cc2O)cc1 ZINC000004252563 181088510 /nfs/dbraw/zinc/08/85/10/181088510.db2.gz NXHNEWMDVUHUCV-VMPITWQZSA-N 0 1 300.310 3.011 40 30 DGEBMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000022259035 182315992 /nfs/dbraw/zinc/31/59/92/182315992.db2.gz WLLYOMSQMWTXHK-UHFFFAOYSA-N 0 1 322.773 3.021 40 30 DGEBMN COc1ccc(OC)c(C=NNc2nc3ccccc3n2C)c1 ZINC000007343387 400102611 /nfs/dbraw/zinc/10/26/11/400102611.db2.gz BBPJELHTKIVPFZ-WOJGMQOQSA-N 0 1 310.357 3.037 40 30 DGEBMN N=C1SC(=Cc2cccc(O)c2)C(O)=C1c1nccs1 ZINC000107659753 400337505 /nfs/dbraw/zinc/33/75/05/400337505.db2.gz ROHFSZUDRPZKDC-UBVPWQMRSA-N 0 1 302.380 3.267 40 30 DGEBMN CC(C)(C)c1[nH]c2ccc(Br)cc2c(=O)c1C#N ZINC000040448550 275534194 /nfs/dbraw/zinc/53/41/94/275534194.db2.gz HQCGRLUWYHJYLO-UHFFFAOYSA-N 0 1 305.175 3.460 40 30 DGEBMN COc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1 ZINC000001240468 431217807 /nfs/dbraw/zinc/21/78/07/431217807.db2.gz KOCCIGOOMYPEDU-BOPFTXTBSA-N 0 1 310.382 3.498 40 30 DGEBMN Oc1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c(O)c1 ZINC000001307728 431220839 /nfs/dbraw/zinc/22/08/39/431220839.db2.gz FZOSBVTXMFUPRU-SXGWCWSVSA-N 0 1 318.402 3.282 40 30 DGEBMN Cc1ccccc1[C@H](C#N)C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000001624657 431232725 /nfs/dbraw/zinc/23/27/25/431232725.db2.gz ICIFMZDRDVSQMW-HNNXBMFYSA-N 0 1 312.756 3.463 40 30 DGEBMN Cc1ccccc1C(C#N)C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000001624657 431232728 /nfs/dbraw/zinc/23/27/28/431232728.db2.gz ICIFMZDRDVSQMW-HNNXBMFYSA-N 0 1 312.756 3.463 40 30 DGEBMN CC(=Nc1ccccc1)C1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000100061735 431980475 /nfs/dbraw/zinc/98/04/75/431980475.db2.gz IHXKJZIDPGITHW-SMEDBKPVSA-N 0 1 306.365 3.332 40 30 DGEBMN CCCCCN1c2ccccc2C(=N[N-]c2cccc[nH+]2)C1=O ZINC000102980120 432001188 /nfs/dbraw/zinc/00/11/88/432001188.db2.gz KGEAMYPWIMABCC-FXBPSFAMSA-N 0 1 308.385 3.435 40 30 DGEBMN COc1ccccc1[C@@H]1CC(=O)C2=CN[C@@H]3CCCC[C@@H]3N=C2C1 ZINC000227104517 432709889 /nfs/dbraw/zinc/70/98/89/432709889.db2.gz VNHDAOAMUWRFGL-XKQJLSEDSA-N 0 1 324.424 3.381 40 30 DGEBMN O=C(COc1ccc(Cl)cc1/C=N/O)Nc1ccccc1 ZINC000409045340 434595743 /nfs/dbraw/zinc/59/57/43/434595743.db2.gz GHKAUQYVCLBBBK-RQZCQDPDSA-N 0 1 304.733 3.166 40 30 DGEBMN COC(=O)c1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000006297277 400092201 /nfs/dbraw/zinc/09/22/01/400092201.db2.gz GKTKCUHFAWTAMR-DNTJNYDQSA-N 0 1 323.274 3.333 40 30 DGEBMN CC(=O)/C(=C\c1c(Cl)cccc1Cl)C(=O)CCN(C)C ZINC000008655406 431402715 /nfs/dbraw/zinc/40/27/15/431402715.db2.gz DNOIVQPFOASITQ-PKNBQFBNSA-N 0 1 314.212 3.487 40 30 DGEBMN N#Cc1ccc2nc([C@H]3CCN(C(=O)C4CCCCC4)C3)[nH]c2c1 ZINC000049168769 431936987 /nfs/dbraw/zinc/93/69/87/431936987.db2.gz NGHPFGUITOHZSN-HNNXBMFYSA-N 0 1 322.412 3.331 40 30 biogenic,in-vitro DGEBMN CC(=Nc1ccccc1)C1C(=O)N[C@H](Cc2ccc(O)cc2)C1=O ZINC000102850294 431999509 /nfs/dbraw/zinc/99/95/09/431999509.db2.gz CDSZPMMTWNONAM-DDLUMYACSA-N 0 1 322.364 3.038 40 30 DGEBMN CC1=C2C(=O)C[C@H](c3ccccc3O)CC2=N[C@H]2CCCC[C@@H]2N1 ZINC000227104569 432709964 /nfs/dbraw/zinc/70/99/64/432709964.db2.gz YKZNHYZHWXQTTH-KBMXLJTQSA-N 0 1 324.424 3.468 40 30 DGEBMN COc1ccc([C@H]2CC(=O)C3=CN[C@H]4CCCC[C@@H]4N=C3C2)cc1 ZINC000005342767 295247196 /nfs/dbraw/zinc/24/71/96/295247196.db2.gz QYPRBYLRUZASNE-JLSDUUJJSA-N 0 1 324.424 3.381 40 30 DGEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccc([N+](=O)[O-])cc1 ZINC000408691984 434590622 /nfs/dbraw/zinc/59/06/22/434590622.db2.gz ANJLRJZYYNDZMU-GZTJUZNOSA-N 0 1 309.329 3.410 40 30 DGEBMN COc1ccc(C(C)=NNc2nc3ccccc3n2C)c(OC)c1 ZINC000408646221 434590864 /nfs/dbraw/zinc/59/08/64/434590864.db2.gz AOLXQUGHFIOMJR-NDENLUEZSA-N 0 1 324.384 3.427 40 30 DGEBMN Cc1ccsc1[C@H]1[C@H](C#N)C(=O)Nc2nc3ccccc3n21 ZINC000020638131 302315291 /nfs/dbraw/zinc/31/52/91/302315291.db2.gz KZWGGXSIEGFBCX-GXFFZTMASA-N 0 1 308.366 3.088 40 30 DGEBMN Cc1ccc(N=NC(N=Nc2nn[nH]n2)c2ccccc2)cc1 ZINC000039502343 183019352 /nfs/dbraw/zinc/01/93/52/183019352.db2.gz RJRORZLYYMQEIB-PVSZGKERSA-N 0 1 306.333 3.066 40 30 DGEBMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1ccc(Cl)cc1 ZINC000001102055 431213732 /nfs/dbraw/zinc/21/37/32/431213732.db2.gz CDCHVVURHZRQBL-WCSRMQSCSA-N 0 1 306.700 3.121 40 30 DGEBMN CC(=O)/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)CCN(C)C ZINC000001579760 431229199 /nfs/dbraw/zinc/22/91/99/431229199.db2.gz LMQZRKZYACHPOV-WQLSENKSSA-N 0 1 314.212 3.487 40 30 DGEBMN CC(C)(C)c1cc(I)c(O)c(C#N)c1 ZINC000225292716 432687444 /nfs/dbraw/zinc/68/74/44/432687444.db2.gz RQMBTBJHVICCJB-UHFFFAOYSA-N 0 1 301.127 3.166 40 30 DGEBMN COc1ccc(CN=Nc2nc3ccccc3n2C)cc1OC ZINC000005072505 181201212 /nfs/dbraw/zinc/20/12/12/181201212.db2.gz WZTZRXBSPIDLJH-WOJGMQOQSA-N 0 1 310.357 3.037 40 30 DGEBMN O=[N+]([O-])c1ccc(C=NNc2cnnc(Cl)c2Cl)cc1 ZINC000031658684 275035020 /nfs/dbraw/zinc/03/50/20/275035020.db2.gz DDDGZOLZZFQTJM-RZNTYIFUSA-N 0 1 312.116 3.138 40 30 DGEBMN O=[N+]([O-])c1ccc(N=NCc2ccc(N3CCCC3)cc2)nc1 ZINC000032192934 275035771 /nfs/dbraw/zinc/03/57/71/275035771.db2.gz BLXOUVMAPOOTRC-WQRHYEAKSA-N 0 1 311.345 3.036 40 30 DGEBMN CCn1c2ccccc2nc1NN=Cc1cc(OC)ccc1O ZINC000408692925 434590742 /nfs/dbraw/zinc/59/07/42/434590742.db2.gz YPQIXMLMGRVMAC-WOJGMQOQSA-N 0 1 310.357 3.216 40 30 DGEBMN CC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cc1 ZINC000035189667 519709229 /nfs/dbraw/zinc/70/92/29/519709229.db2.gz BDHDLTXDSDKFGX-RQZCQDPDSA-N 0 1 313.313 3.318 40 30 DGEBMN O=C(Nc1nnc(CCN2CCCCC2)s1)c1cccs1 ZINC000028630468 400292088 /nfs/dbraw/zinc/29/20/88/400292088.db2.gz QGBYVDVEFZJVES-UHFFFAOYSA-N 0 1 322.459 3.264 40 30 DGEBMN CCOc1ccc(C=Nn2c(=S)[nH]nc2CC)cc1OCC ZINC000041214182 400403512 /nfs/dbraw/zinc/40/35/12/400403512.db2.gz ROANKVPTALEVBS-MHWRWJLKSA-N 0 1 320.418 3.183 40 30 DGEBMN COc1ccc(/C=C\C(=O)c2c(O)cc(OC)cc2O)cc1 ZINC000111431065 431223701 /nfs/dbraw/zinc/22/37/01/431223701.db2.gz NXHNEWMDVUHUCV-YVMONPNESA-N 0 1 300.310 3.011 40 30 DGEBMN CC(=O)/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)CCN(C)C ZINC000005461097 431310586 /nfs/dbraw/zinc/31/05/86/431310586.db2.gz LMQZRKZYACHPOV-XYOKQWHBSA-N 0 1 314.212 3.487 40 30 DGEBMN N#CC1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl ZINC000020637841 431624979 /nfs/dbraw/zinc/62/49/79/431624979.db2.gz MOXLFOCOCUNNGM-IAQYHMDHSA-N 0 1 322.755 3.371 40 30 DGEBMN CC(=Nc1ccccc1)C1C(=O)N[C@H](Cc2ccc(O)cc2)C1=O ZINC000102850298 431999097 /nfs/dbraw/zinc/99/90/97/431999097.db2.gz CDSZPMMTWNONAM-SDLDRHLBSA-N 0 1 322.364 3.038 40 30 DGEBMN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408740435 434591987 /nfs/dbraw/zinc/59/19/87/434591987.db2.gz KPAMYXKFPGQYJD-YCPFAOKUSA-N 0 1 322.324 3.336 40 30 DGEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000408740435 434591992 /nfs/dbraw/zinc/59/19/92/434591992.db2.gz KPAMYXKFPGQYJD-YCPFAOKUSA-N 0 1 322.324 3.336 40 30 DGEBMN N#CC1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000020637756 303166581 /nfs/dbraw/zinc/16/65/81/303166581.db2.gz ZWXTXCGBMKTOIR-IUODEOHRSA-N 0 1 322.755 3.371 40 30 DGEBMN CN1CC[C@H]2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000013407365 283143736 /nfs/dbraw/zinc/14/37/36/283143736.db2.gz FSJFZMHXOCVSDB-SJLPKXTDSA-N 0 1 324.468 3.466 40 30 DGEBMN COC(=O)[C@@H]1CCC(NC2c3ccccc3-c3ccccc32)=N1 ZINC000006384848 181336231 /nfs/dbraw/zinc/33/62/31/181336231.db2.gz LRDRAJLWJFKTLX-INIZCTEOSA-N 0 1 306.365 3.080 40 30 DGEBMN O/N=C1/[C@H](N2CCN(c3cccc(Cl)c3)CC2)[C@@H]2CC[C@H]1C2 ZINC000035191319 431825937 /nfs/dbraw/zinc/82/59/37/431825937.db2.gz RRUBQFBWZLIJHL-KLKZIWFGSA-N 0 1 319.836 3.091 40 30 DGEBMN O=C1C[C@H](c2ccccc2O)CC2=N[C@H]3CCCC[C@@H]3NC=C12 ZINC000017032133 304650882 /nfs/dbraw/zinc/65/08/82/304650882.db2.gz HHRJZVIAWCVHMT-KCXAZCMYSA-N 0 1 310.397 3.078 40 30 DGEBMN N#CC1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000009262152 303166617 /nfs/dbraw/zinc/16/66/17/303166617.db2.gz MBVDVFVPZGCJRL-IUODEOHRSA-N 0 1 322.755 3.371 40 30 DGEBMN CCOc1cc(CN=Nc2nc3ccccc3n2C)ccc1O ZINC000007343338 400102154 /nfs/dbraw/zinc/10/21/54/400102154.db2.gz IWHITVMOKKHIAC-WOJGMQOQSA-N 0 1 310.357 3.124 40 30 DGEBMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1cc([N+](=O)[O-])ccc1C#N ZINC000001661272 431233549 /nfs/dbraw/zinc/23/35/49/431233549.db2.gz ABMTYDQDGFSNKM-BETUJISGSA-N 0 1 303.362 3.108 40 30 DGEBMN C#CCOc1ccc(OC)cc1C=NNc1nc2ccccc2[nH]1 ZINC000014134294 431579895 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