smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757605 182060245 /nfs/dbraw/zinc/06/02/45/182060245.db2.gz SSIKXCRBJZYERC-UHFFFAOYSA-N 1 2 317.417 4.809 40 0 DJABLO CCN(CC)c1cc(C)c2cc(Cc3ccccc3)ccc2[nH+]1 ZINC000001701915 563291954 /nfs/dbraw/zinc/29/19/54/563291954.db2.gz VCFWRWYELBNBQC-UHFFFAOYSA-N 1 2 304.437 4.980 40 0 DJABLO C[NH+](C)c1ccc(-n2c3ccccc3nc2-c2ccccc2)cc1 ZINC000073739969 563458543 /nfs/dbraw/zinc/45/85/43/563458543.db2.gz XECCWINLMDABSF-UHFFFAOYSA-N 1 2 313.404 4.759 40 0 DJABLO Cc1ccc(C[N@H+](Cc2sccc2C)Cc2ccccn2)o1 ZINC000013991001 563546931 /nfs/dbraw/zinc/54/69/31/563546931.db2.gz OAKLWUZIBDYNBW-UHFFFAOYSA-N 1 2 312.438 4.555 40 0 DJABLO Cc1ccc(C[N@@H+](Cc2sccc2C)Cc2ccccn2)o1 ZINC000013991001 563546933 /nfs/dbraw/zinc/54/69/33/563546933.db2.gz OAKLWUZIBDYNBW-UHFFFAOYSA-N 1 2 312.438 4.555 40 0 DJABLO C[C@H]([NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000031624164 563644508 /nfs/dbraw/zinc/64/45/08/563644508.db2.gz LDTLPOSPQMEXFV-LAUBAEHRSA-N 1 2 315.416 4.961 40 0 DJABLO Cc1cc(SC(C)(C)C)c[nH+]c1N1CCc2ccccc2C1 ZINC000072222859 257123497 /nfs/dbraw/zinc/12/34/97/257123497.db2.gz IROZFWMCCSDZRD-UHFFFAOYSA-N 1 2 312.482 4.843 40 0 DJABLO Nc1cccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000064875377 257128282 /nfs/dbraw/zinc/12/82/82/257128282.db2.gz VAHMHYVIOJQXMF-UHFFFAOYSA-N 1 2 303.287 4.579 40 0 DJABLO Cc1cc(C)c(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c(C)c1 ZINC000329018353 563959903 /nfs/dbraw/zinc/95/99/03/563959903.db2.gz NQOQUINCWKVPDV-UHFFFAOYSA-N 1 2 324.472 5.233 40 0 DJABLO Cc1cc(Nc2ccc(C(=O)OC(C)C)cc2)[nH+]c2ccccc12 ZINC000040400826 183061420 /nfs/dbraw/zinc/06/14/20/183061420.db2.gz ZQSZBSMOHKKYNJ-UHFFFAOYSA-N 1 2 320.392 4.852 40 0 DJABLO Cc1cc(CN(Nc2ccccc2)c2ccccc2)cc(C)[nH+]1 ZINC000001723159 563293973 /nfs/dbraw/zinc/29/39/73/563293973.db2.gz UVMMQEZYYLDABR-UHFFFAOYSA-N 1 2 303.409 4.732 40 0 DJABLO CCOc1ccc(Nc2cc(C)[nH+]c3c(OC)cccc23)cc1 ZINC000000303365 563607539 /nfs/dbraw/zinc/60/75/39/563607539.db2.gz PCLQGKGAKHMZSQ-UHFFFAOYSA-N 1 2 308.381 4.694 40 0 DJABLO Cc1cc2[nH+]c(-c3ccc(Br)cc3)[nH]c2c(C)c1 ZINC000070462767 563813120 /nfs/dbraw/zinc/81/31/20/563813120.db2.gz PDZWEXVAONYRQY-UHFFFAOYSA-N 1 2 301.187 4.609 40 0 DJABLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000090624259 185307306 /nfs/dbraw/zinc/30/73/06/185307306.db2.gz CVWYQQGHIHMOCF-UHFFFAOYSA-N 1 2 315.416 4.572 40 0 DJABLO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1SC(C)(C)C ZINC000072223903 257123479 /nfs/dbraw/zinc/12/34/79/257123479.db2.gz VKPXYLJXFPZGNH-UHFFFAOYSA-N 1 2 312.482 4.843 40 0 DJABLO CCCCOC[NH+](COCCCC)C12CC3CC(CC(C3)C1)C2 ZINC000031761384 563440616 /nfs/dbraw/zinc/44/06/16/563440616.db2.gz KRAGSAZKYMGNNU-UHFFFAOYSA-N 1 2 323.521 4.806 40 0 DJABLO O=C1C[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000031720492 563440718 /nfs/dbraw/zinc/44/07/18/563440718.db2.gz RPLOEIIZAYQBAW-IRXDYDNUSA-N 1 2 320.219 4.728 40 0 DJABLO C[C@@]1(Cc2ccccc2)Nc2ccccc2[C@H](c2ccccc2)[NH2+]1 ZINC000005587207 181261330 /nfs/dbraw/zinc/26/13/30/181261330.db2.gz TZRANINVUNCRQP-FCHUYYIVSA-N 1 2 314.432 4.750 40 0 DJABLO Clc1ccccc1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000016449704 182045245 /nfs/dbraw/zinc/04/52/45/182045245.db2.gz IMFGILWSDWKHJH-UHFFFAOYSA-N 1 2 300.616 4.937 40 0 DJABLO Cc1cc(Br)cn2cc(-c3ccc(C)c(C)c3)[nH+]c12 ZINC000036318655 182815276 /nfs/dbraw/zinc/81/52/76/182815276.db2.gz ONMYCIATTPCTSC-UHFFFAOYSA-N 1 2 315.214 4.689 40 0 DJABLO Cc1[nH+]c2ccc(C(F)(F)F)cc2n1CCc1ccccc1 ZINC000000076130 563213854 /nfs/dbraw/zinc/21/38/54/563213854.db2.gz XQIZCVPWNIZZCL-UHFFFAOYSA-N 1 2 304.315 4.606 40 0 DJABLO Cc1ccn2c(c1)[nH+]c(-c1cccs1)c2NCc1ccccc1 ZINC000000319669 563240714 /nfs/dbraw/zinc/24/07/14/563240714.db2.gz XDEIGCAPSMCKDA-UHFFFAOYSA-N 1 2 319.433 4.983 40 0 DJABLO CCOc1ccccc1Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000000303377 563607447 /nfs/dbraw/zinc/60/74/47/563607447.db2.gz VGQMDQFTJHVEJJ-UHFFFAOYSA-N 1 2 308.381 4.694 40 0 DJABLO CC(C)Nc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000242695951 202474202 /nfs/dbraw/zinc/47/42/02/202474202.db2.gz CXWLIMNFOSQAEZ-UHFFFAOYSA-N 1 2 304.397 4.708 40 0 DJABLO Cc1cc(SC(C)(C)C)c[nH+]c1N(C)Cc1ccccc1 ZINC000072222370 257123533 /nfs/dbraw/zinc/12/35/33/257123533.db2.gz LSLJHOMVVZCIEM-UHFFFAOYSA-N 1 2 300.471 4.917 40 0 DJABLO CCOC(=O)c1ccc(Nc2cc[nH+]c3c(C)cc(F)cc23)cc1 ZINC000064874762 257128205 /nfs/dbraw/zinc/12/82/05/257128205.db2.gz OHZSFIATUTXXOU-UHFFFAOYSA-N 1 2 324.355 4.603 40 0 DJABLO CC(C)(C)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000328957945 526337648 /nfs/dbraw/zinc/33/76/48/526337648.db2.gz AMNMKKVLCPBNTO-UHFFFAOYSA-N 1 2 316.836 4.961 40 0 DJABLO CC(C)Nc1nc(NCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000244009788 563604375 /nfs/dbraw/zinc/60/43/75/563604375.db2.gz SKCMNCJHNXIKBH-UHFFFAOYSA-N 1 2 318.424 4.576 40 0 DJABLO CC(C)Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000243315297 563604685 /nfs/dbraw/zinc/60/46/85/563604685.db2.gz LKCCGAYVYNWGSJ-UHFFFAOYSA-N 1 2 310.445 4.709 40 0 DJABLO Cc1cc2[nH+]c(-c3cccc(Br)c3)[nH]c2c(C)c1 ZINC000070462764 563813127 /nfs/dbraw/zinc/81/31/27/563813127.db2.gz RREFONVXTZIDIY-UHFFFAOYSA-N 1 2 301.187 4.609 40 0 DJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)ccc1F ZINC000329047718 563833673 /nfs/dbraw/zinc/83/36/73/563833673.db2.gz UGVLJPONLCEORC-UHFFFAOYSA-N 1 2 314.408 4.756 40 0 DJABLO Nc1cccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c1 ZINC000064875386 257128460 /nfs/dbraw/zinc/12/84/60/257128460.db2.gz OOHRXMUCQRDKCG-UHFFFAOYSA-N 1 2 303.287 4.579 40 0 DJABLO Cc1cc2[nH+]c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c2c(C)c1 ZINC000070462799 563813014 /nfs/dbraw/zinc/81/30/14/563813014.db2.gz HJSQFPPFVFVZAH-UHFFFAOYSA-N 1 2 306.196 4.736 40 0 DJABLO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(Cl)c(F)c2)no1 ZINC000012185878 563364127 /nfs/dbraw/zinc/36/41/27/563364127.db2.gz AKEXEBVLPXCYGL-QGZVFWFLSA-N 1 2 322.811 4.893 40 0 DJABLO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccc(Cl)c(F)c2)no1 ZINC000012185878 563364131 /nfs/dbraw/zinc/36/41/31/563364131.db2.gz AKEXEBVLPXCYGL-QGZVFWFLSA-N 1 2 322.811 4.893 40 0 DJABLO CCCOc1ccc(Cn2c(CCC)[nH+]c3ccccc32)cc1 ZINC000005547652 181255453 /nfs/dbraw/zinc/25/54/53/181255453.db2.gz MWWFKLTVYSWBDQ-UHFFFAOYSA-N 1 2 308.425 4.826 40 0 DJABLO Cc1ccc2[nH+]c(CSc3nc4ccccc4s3)cn2c1 ZINC000005629110 181265930 /nfs/dbraw/zinc/26/59/30/181265930.db2.gz JFCORQAFCDKUMZ-UHFFFAOYSA-N 1 2 311.435 4.545 40 0 DJABLO COC(=O)c1cccc(Nc2cc(C)c3cc(C)cc(C)c3[nH+]2)c1 ZINC000041127832 183169510 /nfs/dbraw/zinc/16/95/10/183169510.db2.gz UFCFMJAVZXFEKY-UHFFFAOYSA-N 1 2 320.392 4.690 40 0 DJABLO COC(=O)c1ccc(Nc2cc(C)c3cc(C)cc(C)c3[nH+]2)cc1 ZINC000041127824 183169971 /nfs/dbraw/zinc/16/99/71/183169971.db2.gz LXXKNKANAVOIAE-UHFFFAOYSA-N 1 2 320.392 4.690 40 0 DJABLO CCOC(=O)c1cccc(Nc2cc[nH+]c3c(C)cc(F)cc23)c1 ZINC000064874765 257128066 /nfs/dbraw/zinc/12/80/66/257128066.db2.gz AYYMLAIWZVUFHM-UHFFFAOYSA-N 1 2 324.355 4.603 40 0 DJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000243419908 563604434 /nfs/dbraw/zinc/60/44/34/563604434.db2.gz MTACSXRNLAJAMM-UHFFFAOYSA-N 1 2 316.408 4.770 40 0 DJABLO CCc1[nH+]c2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000005234770 181219508 /nfs/dbraw/zinc/21/95/08/181219508.db2.gz VTHAUSIHMICKIG-UHFFFAOYSA-N 1 2 305.208 4.954 40 0 DJABLO C[C@]1(Cc2ccccc2)Nc2ccccc2[C@H](c2ccccc2)[NH2+]1 ZINC000005587137 181260957 /nfs/dbraw/zinc/26/09/57/181260957.db2.gz TZRANINVUNCRQP-VXKWHMMOSA-N 1 2 314.432 4.750 40 0 DJABLO c1ccc(C2=[NH+]CCN2N(c2ccccc2)c2ccccc2)cc1 ZINC000006222854 181321020 /nfs/dbraw/zinc/32/10/20/181321020.db2.gz ZUAUUTFOSPODHF-UHFFFAOYSA-N 1 2 313.404 4.502 40 0 DJABLO O=C1C[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000017005073 182067881 /nfs/dbraw/zinc/06/78/81/182067881.db2.gz RPLOEIIZAYQBAW-CALCHBBNSA-N 1 2 320.219 4.728 40 0 DJABLO COc1ccc(OCCCn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000040231320 183047984 /nfs/dbraw/zinc/04/79/84/183047984.db2.gz ZECLIWWQEWZUTK-UHFFFAOYSA-N 1 2 324.424 4.637 40 0 DJABLO Cc1cc2[nH]c(-c3cc(Cl)c(N)c(Cl)c3)[nH+]c2cc1C ZINC000045954338 563888982 /nfs/dbraw/zinc/88/89/82/563888982.db2.gz PRPAECMMYCDVTB-UHFFFAOYSA-N 1 2 306.196 4.736 40 0 DJABLO Cc1[nH+]c2ccccc2n1CCOc1cc(C)ccc1C(C)C ZINC000031903303 563441440 /nfs/dbraw/zinc/44/14/40/563441440.db2.gz HXHLYXQSCAZCLX-UHFFFAOYSA-N 1 2 308.425 4.856 40 0 DJABLO O=C(c1ccccc1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000095934892 563531283 /nfs/dbraw/zinc/53/12/83/563531283.db2.gz VEEDEKCEFJFTCG-GOSISDBHSA-N 1 2 313.828 4.750 40 0 DJABLO CC(C)(C)Nc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000243732788 563604679 /nfs/dbraw/zinc/60/46/79/563604679.db2.gz PULJCTSDBAHCCX-UHFFFAOYSA-N 1 2 322.412 4.559 40 0 DJABLO C[C@@H]([NH2+][C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000031624166 563644719 /nfs/dbraw/zinc/64/47/19/563644719.db2.gz LDTLPOSPQMEXFV-UTKZUKDTSA-N 1 2 315.416 4.961 40 0 DJABLO Cc1cc2[nH+]c(Cc3ccc(Br)cc3)[nH]c2c(C)c1 ZINC000073638837 191333947 /nfs/dbraw/zinc/33/39/47/191333947.db2.gz MFJGQBBYUAJMJE-UHFFFAOYSA-N 1 2 315.214 4.533 40 0 DJABLO C[C@@]1(Cc2ccccc2)Nc2ccccc2[C@@H](c2ccccc2)[NH2+]1 ZINC000005587209 181261358 /nfs/dbraw/zinc/26/13/58/181261358.db2.gz TZRANINVUNCRQP-FGZHOGPDSA-N 1 2 314.432 4.750 40 0 DJABLO Clc1nc(-n2cc[nH+]c2)c2ccccc2c1-c1ccccc1 ZINC000000001174 563211108 /nfs/dbraw/zinc/21/11/08/563211108.db2.gz IDQGRVRLINQKBK-UHFFFAOYSA-N 1 2 305.768 4.741 40 0 in-man DJABLO Clc1ccc2c(c1)C1=[NH+]CCCN1c1cc(Cl)ccc1-2 ZINC000001649170 563289137 /nfs/dbraw/zinc/28/91/37/563289137.db2.gz UWZPUFRMUXCHCQ-UHFFFAOYSA-N 1 2 303.192 4.631 40 0 DJABLO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(Cl)c(F)c2)no1 ZINC000012185872 563364203 /nfs/dbraw/zinc/36/42/03/563364203.db2.gz AKEXEBVLPXCYGL-KRWDZBQOSA-N 1 2 322.811 4.893 40 0 DJABLO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccc(Cl)c(F)c2)no1 ZINC000012185872 563364206 /nfs/dbraw/zinc/36/42/06/563364206.db2.gz AKEXEBVLPXCYGL-KRWDZBQOSA-N 1 2 322.811 4.893 40 0 DJABLO O=C1C[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000031720495 563440567 /nfs/dbraw/zinc/44/05/67/563440567.db2.gz RPLOEIIZAYQBAW-IAGOWNOFSA-N 1 2 320.219 4.728 40 0 DJABLO CC(C)Nc1nc(Nc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000243387205 563604695 /nfs/dbraw/zinc/60/46/95/563604695.db2.gz MKCATUOIUCKLQZ-UHFFFAOYSA-N 1 2 322.387 4.847 40 0 DJABLO C[C@@H]([NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000031624162 563644650 /nfs/dbraw/zinc/64/46/50/563644650.db2.gz LDTLPOSPQMEXFV-DYESRHJHSA-N 1 2 315.416 4.961 40 0 DJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)ccc1C(C)C ZINC000328984931 563960135 /nfs/dbraw/zinc/96/01/35/563960135.db2.gz HQUUQZVTWUOXLI-UHFFFAOYSA-N 1 2 322.456 5.104 40 0 DJABLO CC(=O)Nc1ccc(Nc2cc(C)c3cc(C)cc(C)c3[nH+]2)cc1 ZINC000041127852 183169558 /nfs/dbraw/zinc/16/95/58/183169558.db2.gz KNEYSXWEOWURQH-UHFFFAOYSA-N 1 2 319.408 4.862 40 0 DJABLO CC(C)Nc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000243820415 563604542 /nfs/dbraw/zinc/60/45/42/563604542.db2.gz QUXCVGBKXNQKSS-UHFFFAOYSA-N 1 2 322.387 4.847 40 0 DJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)ccc1C(C)C ZINC000329063315 563960192 /nfs/dbraw/zinc/96/01/92/563960192.db2.gz XCJUWQFYCFCEQD-UHFFFAOYSA-N 1 2 324.472 5.350 40 0 DJABLO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1SC(C)(C)C ZINC000072224945 257123147 /nfs/dbraw/zinc/12/31/47/257123147.db2.gz OCKGAPNEYCSRIA-UHFFFAOYSA-N 1 2 312.482 4.843 40 0 DJABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328984097 563960065 /nfs/dbraw/zinc/96/00/65/563960065.db2.gz HKXFIRCDRKKLSB-UHFFFAOYSA-N 1 2 322.456 5.151 40 0 DJABLO C[C@]1(Cc2ccccc2)Nc2ccccc2[C@@H](c2ccccc2)[NH2+]1 ZINC000005587139 181261030 /nfs/dbraw/zinc/26/10/30/181261030.db2.gz TZRANINVUNCRQP-YADHBBJMSA-N 1 2 314.432 4.750 40 0 DJABLO Cc1[nH+]c(N(C)Cc2ccccc2)ccc1SC(C)(C)C ZINC000072224451 257123580 /nfs/dbraw/zinc/12/35/80/257123580.db2.gz DWJHFIRODDELKF-UHFFFAOYSA-N 1 2 300.471 4.917 40 0 DJABLO Cc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000243609803 563604658 /nfs/dbraw/zinc/60/46/58/563604658.db2.gz OXPUKBZZFIVFNN-UHFFFAOYSA-N 1 2 316.408 4.770 40 0 DJABLO C[C@H]([NH2+][C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000031624168 563644840 /nfs/dbraw/zinc/64/48/40/563644840.db2.gz LDTLPOSPQMEXFV-UWJYYQICSA-N 1 2 315.416 4.961 40 0 DJABLO CCCOC(=O)c1ccc(Nc2cc(C)c3ccccc3[nH+]2)cc1 ZINC000005583549 181260697 /nfs/dbraw/zinc/26/06/97/181260697.db2.gz PLPWOBQLFQRHPA-UHFFFAOYSA-N 1 2 320.392 4.854 40 0 DJABLO CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008227287 181536970 /nfs/dbraw/zinc/53/69/70/181536970.db2.gz SLPKAKJMGWTAKW-UHFFFAOYSA-N 1 2 310.224 4.682 40 0 DJABLO Cc1cc(N(C)Cc2ccccc2)[nH+]cc1SC(C)(C)C ZINC000072223409 257123561 /nfs/dbraw/zinc/12/35/61/257123561.db2.gz KKVMAJOKWGHFCT-UHFFFAOYSA-N 1 2 300.471 4.917 40 0 DJABLO Oc1cc2cccnc2c(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000001724390 563293777 /nfs/dbraw/zinc/29/37/77/563293777.db2.gz QPZLHASSHCEQAE-UHFFFAOYSA-N 1 2 321.767 4.886 40 0 DJABLO Fc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000243477136 563604332 /nfs/dbraw/zinc/60/43/32/563604332.db2.gz NMLCNUGPVKBBRF-UHFFFAOYSA-N 1 2 320.371 4.601 40 0 DJABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329063966 563834660 /nfs/dbraw/zinc/83/46/60/563834660.db2.gz XGYCPQWKVYJZQK-UHFFFAOYSA-N 1 2 314.408 4.756 40 0 DJABLO O=C(c1ccccc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000095934893 563531293 /nfs/dbraw/zinc/53/12/93/563531293.db2.gz VEEDEKCEFJFTCG-SFHVURJKSA-N 1 2 313.828 4.750 40 0 DJABLO CC(C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)[nH+]1 ZINC000328963766 563959923 /nfs/dbraw/zinc/95/99/23/563959923.db2.gz BQPTYWAYOCYQRG-UHFFFAOYSA-N 1 2 324.472 5.215 40 0 DJABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000328977244 563960277 /nfs/dbraw/zinc/96/02/77/563960277.db2.gz FSLHUAZWYNODNS-UHFFFAOYSA-N 1 2 324.472 5.179 40 0 DJABLO