smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)n1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1C1CC1 ZINC000825080552 608027605 /nfs/dbraw/zinc/02/76/05/608027605.db2.gz AHHZPPKCGCXAQH-SNVBAGLBSA-N -1 1 399.459 2.780 20 50 GFGDMM CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953667 608094330 /nfs/dbraw/zinc/09/43/30/608094330.db2.gz KXZNZUYAVGPKLQ-UHFFFAOYSA-N -1 1 378.364 2.684 20 50 GFGDMM CN(CC(C)(C)CNC(=O)[O-])C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000828143301 603528592 /nfs/dbraw/zinc/52/85/92/603528592.db2.gz YOQOYMMYUGWGTG-UHFFFAOYSA-N -1 1 391.255 2.573 20 50 GFGDMM CCSc1ccc(CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000825673797 607711717 /nfs/dbraw/zinc/71/17/17/607711717.db2.gz CNDQBIMLNFISOZ-UHFFFAOYSA-N -1 1 387.469 2.776 20 50 GFGDMM COc1ccc2[nH]c(=NNC(=O)c3ccc(-c4nnn[n-]4)s3)c(C)cc2c1 ZINC000826213899 609400987 /nfs/dbraw/zinc/40/09/87/609400987.db2.gz QQJTVLJWHDEPAH-UHFFFAOYSA-N -1 1 381.421 2.550 20 50 GFGDMM COc1ccc2[nH]c(=NNC(=O)c3ccc(-c4nn[n-]n4)s3)c(C)cc2c1 ZINC000826213899 609400990 /nfs/dbraw/zinc/40/09/90/609400990.db2.gz QQJTVLJWHDEPAH-UHFFFAOYSA-N -1 1 381.421 2.550 20 50 GFGDMM O=C([O-])Nc1ccc(CCNC(=O)NNC(=O)c2cc3ccccc3o2)cc1 ZINC000833287020 601335738 /nfs/dbraw/zinc/33/57/38/601335738.db2.gz APZXGNBKOSFMAQ-UHFFFAOYSA-N -1 1 382.376 2.709 20 50 GFGDMM O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000823454292 606181185 /nfs/dbraw/zinc/18/11/85/606181185.db2.gz MSQZBSFRDOSTLY-UHFFFAOYSA-N -1 1 396.182 2.818 20 50 GFGDMM O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000823454292 606181187 /nfs/dbraw/zinc/18/11/87/606181187.db2.gz MSQZBSFRDOSTLY-UHFFFAOYSA-N -1 1 396.182 2.818 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCCc2cc(F)ccc2F)o1 ZINC000824358363 608060101 /nfs/dbraw/zinc/06/01/01/608060101.db2.gz ICPKALGOJAGTJH-UHFFFAOYSA-N -1 1 391.382 2.722 20 50 GFGDMM CSc1[nH]c(=O)c(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826229769 609177575 /nfs/dbraw/zinc/17/75/75/609177575.db2.gz QTPTXCWOGPBZEI-UHFFFAOYSA-N -1 1 399.480 2.744 20 50 GFGDMM CSc1nc(C2CC2)cc(C(=O)NNc2ccccc2F)c1-c1nnn[n-]1 ZINC000826231548 607338010 /nfs/dbraw/zinc/33/80/10/607338010.db2.gz PKWGLPLORCNYRT-UHFFFAOYSA-N -1 1 385.428 2.757 20 50 GFGDMM CSc1nc(C2CC2)cc(C(=O)NNc2ccccc2F)c1-c1nn[n-]n1 ZINC000826231548 607338012 /nfs/dbraw/zinc/33/80/12/607338012.db2.gz PKWGLPLORCNYRT-UHFFFAOYSA-N -1 1 385.428 2.757 20 50 GFGDMM C[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703493 603495747 /nfs/dbraw/zinc/49/57/47/603495747.db2.gz OUIFCEKRHYJEHP-SJCJKPOMSA-N -1 1 381.388 2.839 20 50 GFGDMM CCCCNc1ccccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825290692 608120687 /nfs/dbraw/zinc/12/06/87/608120687.db2.gz FOJFOSRWGLOQPR-UHFFFAOYSA-N -1 1 384.444 2.947 20 50 GFGDMM Cc1ncsc1C(=O)NNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833009912 602003512 /nfs/dbraw/zinc/00/35/12/602003512.db2.gz FZFCCADXDHMGHW-UHFFFAOYSA-N -1 1 388.327 2.635 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccc(-c3ccoc3)c2)o1 ZINC000824358917 608027586 /nfs/dbraw/zinc/02/75/86/608027586.db2.gz RYZGXMDLHIOBEK-UHFFFAOYSA-N -1 1 379.380 2.995 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccc([C@@H]3CCCOC3)c2)o1 ZINC000824359552 608340247 /nfs/dbraw/zinc/34/02/47/608340247.db2.gz WVKQGFOHBCGCFQ-CQSZACIVSA-N -1 1 397.439 2.629 20 50 GFGDMM O=C([O-])N[C@H](CCC(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000832121210 603497573 /nfs/dbraw/zinc/49/75/73/603497573.db2.gz UZCIYQUBOKYVOZ-OAHLLOKOSA-N -1 1 381.388 2.983 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H](C)c2ccc(F)cc2F)o1 ZINC000824358508 607711114 /nfs/dbraw/zinc/71/11/14/607711114.db2.gz MCCVBVQBWWOXLC-VIFPVBQESA-N -1 1 391.382 2.893 20 50 GFGDMM O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000831735946 605290397 /nfs/dbraw/zinc/29/03/97/605290397.db2.gz FJOFHCSRPKHCTO-VIFPVBQESA-N -1 1 381.841 2.706 20 50 GFGDMM CSc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1F ZINC000826229891 608340816 /nfs/dbraw/zinc/34/08/16/608340816.db2.gz VVCIZIKAKPVMOZ-UHFFFAOYSA-N -1 1 377.405 2.596 20 50 GFGDMM Cc1ccc(C(F)(F)C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000826284451 609152090 /nfs/dbraw/zinc/15/20/90/609152090.db2.gz UIAQLVLURBJUHY-UHFFFAOYSA-N -1 1 377.355 2.522 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccc([C@H]3CCCOC3)cc2)o1 ZINC000824358197 609150641 /nfs/dbraw/zinc/15/06/41/609150641.db2.gz BOKJKHCHLNHTCK-AWEZNQCLSA-N -1 1 397.439 2.629 20 50 GFGDMM O=C([O-])c1cn(CC(=O)NNC(=O)c2cc3ccccc3o2)c2ccccc12 ZINC000833119719 601324769 /nfs/dbraw/zinc/32/47/69/601324769.db2.gz JZLRGRXVAXIUPM-UHFFFAOYSA-N -1 1 377.356 2.547 20 50 GFGDMM C[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823703498 603495369 /nfs/dbraw/zinc/49/53/69/603495369.db2.gz OUIFCEKRHYJEHP-YVEFUNNKSA-N -1 1 381.388 2.839 20 50 GFGDMM C[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823703494 603495675 /nfs/dbraw/zinc/49/56/75/603495675.db2.gz OUIFCEKRHYJEHP-SJKOYZFVSA-N -1 1 381.388 2.839 20 50 GFGDMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(CCCCl)cc1 ZINC000826493656 607868665 /nfs/dbraw/zinc/86/86/65/607868665.db2.gz WHBXKQHCTMDCJW-UHFFFAOYSA-N -1 1 396.831 2.945 20 50 GFGDMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(CCCCl)cc1 ZINC000826493656 607868666 /nfs/dbraw/zinc/86/86/66/607868666.db2.gz WHBXKQHCTMDCJW-UHFFFAOYSA-N -1 1 396.831 2.945 20 50 GFGDMM O=C([O-])N[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000832091526 603497267 /nfs/dbraw/zinc/49/72/67/603497267.db2.gz DYNSPIVZXDCEJI-OAHLLOKOSA-N -1 1 387.779 2.856 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cc(C3CCCCC3)n[nH]2)o1 ZINC000824358667 607980280 /nfs/dbraw/zinc/98/02/80/607980280.db2.gz OFBJEEMQXZMJHB-UHFFFAOYSA-N -1 1 385.432 2.506 20 50 GFGDMM O=C(NNc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826447778 607358406 /nfs/dbraw/zinc/35/84/06/607358406.db2.gz VNQPUPWOMNUUBL-UHFFFAOYSA-N -1 1 383.206 2.587 20 50 GFGDMM O=C(NNc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826447778 607358408 /nfs/dbraw/zinc/35/84/08/607358408.db2.gz VNQPUPWOMNUUBL-UHFFFAOYSA-N -1 1 383.206 2.587 20 50 GFGDMM O=C(NNc1ccccn1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826449383 609263594 /nfs/dbraw/zinc/26/35/94/609263594.db2.gz PHMZDWHVMJJHFK-UHFFFAOYSA-N -1 1 391.366 2.950 20 50 GFGDMM O=C(NNc1ccccn1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826449383 609263595 /nfs/dbraw/zinc/26/35/95/609263595.db2.gz PHMZDWHVMJJHFK-UHFFFAOYSA-N -1 1 391.366 2.950 20 50 GFGDMM C[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703491 603495669 /nfs/dbraw/zinc/49/56/69/603495669.db2.gz OUIFCEKRHYJEHP-PXAZEXFGSA-N -1 1 381.388 2.839 20 50 GFGDMM CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948224 608091318 /nfs/dbraw/zinc/09/13/18/608091318.db2.gz IBDMYGILLQKJEY-UHFFFAOYSA-N -1 1 376.829 2.501 20 50 GFGDMM CC(=NNC(=O)c1ccccc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000823953496 608091659 /nfs/dbraw/zinc/09/16/59/608091659.db2.gz CQLONYDQIYQICU-UHFFFAOYSA-N -1 1 391.254 2.845 20 50 GFGDMM CC(=NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948803 608094983 /nfs/dbraw/zinc/09/49/83/608094983.db2.gz YUBSINXNCFWHCP-UHFFFAOYSA-N -1 1 384.450 2.534 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)Cc2cccc(Cl)c2)o1 ZINC000824456899 607889410 /nfs/dbraw/zinc/88/94/10/607889410.db2.gz AHMXSOWTMBBBKM-JTQLQIEISA-N -1 1 389.847 2.953 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=Cc2ccc3[nH]ccc3c2)o1 ZINC000824358356 608237376 /nfs/dbraw/zinc/23/73/76/608237376.db2.gz IBCLYVVIAIQXFA-XQRVVYSFSA-N -1 1 378.396 2.616 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)Cc2cccc(Cl)c2)o1 ZINC000824456900 607889162 /nfs/dbraw/zinc/88/91/62/607889162.db2.gz AHMXSOWTMBBBKM-SNVBAGLBSA-N -1 1 389.847 2.953 20 50 GFGDMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000826249464 607683886 /nfs/dbraw/zinc/68/38/86/607683886.db2.gz DXVCCKVZAUTBMZ-UHFFFAOYSA-N -1 1 391.218 2.557 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](OC(C)(C)C)c2ccccc2)o1 ZINC000824352378 607817789 /nfs/dbraw/zinc/81/77/89/607817789.db2.gz BKQMGRHXBXQXRA-CQSZACIVSA-N -1 1 399.455 2.978 20 50 GFGDMM O=C([O-])N[C@@H](CC(=O)NNc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000832106382 603483470 /nfs/dbraw/zinc/48/34/70/603483470.db2.gz YKBUSXQEGSSLDS-SNVBAGLBSA-N -1 1 388.371 2.874 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)c2c(F)cccc2F)o1 ZINC000824352823 608120570 /nfs/dbraw/zinc/12/05/70/608120570.db2.gz PFPGHWQVDNMUSI-QMMMGPOBSA-N -1 1 377.355 2.503 20 50 GFGDMM Cc1ccc2cc(C(=O)NNc3oc(C(C)C)nc3-c3nn[n-]n3)ccc2n1 ZINC000826295112 607510365 /nfs/dbraw/zinc/51/03/65/607510365.db2.gz RRCWEPBAOSZWFE-UHFFFAOYSA-N -1 1 378.396 2.592 20 50 GFGDMM O=C([O-])N[C@H](CC(=O)NNc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000832106381 603483250 /nfs/dbraw/zinc/48/32/50/603483250.db2.gz YKBUSXQEGSSLDS-JTQLQIEISA-N -1 1 388.371 2.874 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H](C)c2ccc(F)cc2F)o1 ZINC000824358507 607710875 /nfs/dbraw/zinc/71/08/75/607710875.db2.gz MCCVBVQBWWOXLC-SECBINFHSA-N -1 1 391.382 2.893 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCc3c2cccc3Cl)o1 ZINC000824352339 608583579 /nfs/dbraw/zinc/58/35/79/608583579.db2.gz ADXLBVZBMSEAOO-NSHDSACASA-N -1 1 387.831 2.805 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)c2c(F)cccc2F)o1 ZINC000824352822 608120251 /nfs/dbraw/zinc/12/02/51/608120251.db2.gz PFPGHWQVDNMUSI-MRVPVSSYSA-N -1 1 377.355 2.503 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccc([C@@H]3CCCOC3)cc2)o1 ZINC000824358198 609150441 /nfs/dbraw/zinc/15/04/41/609150441.db2.gz BOKJKHCHLNHTCK-CQSZACIVSA-N -1 1 397.439 2.629 20 50 GFGDMM Cc1c(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cnn1C1CCCCC1 ZINC000826234771 609296077 /nfs/dbraw/zinc/29/60/77/609296077.db2.gz NFTCBPYOPVFIKP-UHFFFAOYSA-N -1 1 399.459 2.745 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCc2ccc3[nH]ccc3c2)o1 ZINC000824358926 608583661 /nfs/dbraw/zinc/58/36/61/608583661.db2.gz SDNDUMAQBUDAKR-UHFFFAOYSA-N -1 1 380.412 2.535 20 50 GFGDMM CC(=NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948813 608095021 /nfs/dbraw/zinc/09/50/21/608095021.db2.gz ZFOIFNRMRWBARD-UHFFFAOYSA-N -1 1 396.411 2.611 20 50 GFGDMM O=C([O-])N[C@H](CCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)c1ccccc1 ZINC000832122116 604005097 /nfs/dbraw/zinc/00/50/97/604005097.db2.gz ZMNOHKHJHWYALY-CQSZACIVSA-N -1 1 381.392 2.568 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cc(Cl)c(N)c(Cl)c2)o1 ZINC000824358439 608120350 /nfs/dbraw/zinc/12/03/50/608120350.db2.gz KBYSSFPEYWLVTJ-UHFFFAOYSA-N -1 1 397.226 2.624 20 50 GFGDMM Cc1ccc(-c2ccc(C(=O)[N-]NC(=O)c3ccc(-c4nn[nH]n4)cc3)s2)o1 ZINC000826273472 609414553 /nfs/dbraw/zinc/41/45/53/609414553.db2.gz GDEFBRYTCXPRPI-UHFFFAOYSA-N -1 1 394.416 2.571 20 50 GFGDMM Cc1ccc(-c2ccc(C(=O)[N-]NC(=O)c3cccc(-c4nn[nH]n4)c3)s2)o1 ZINC000826273621 609383035 /nfs/dbraw/zinc/38/30/35/609383035.db2.gz NBOAAKXUCSRICZ-UHFFFAOYSA-N -1 1 394.416 2.571 20 50 GFGDMM CC[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825038576 608583573 /nfs/dbraw/zinc/58/35/73/608583573.db2.gz FSOXRIONLCMFFI-ZDUSSCGKSA-N -1 1 385.428 2.624 20 50 GFGDMM C[C@H](c1ccncc1)N1CCC(NC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833550531 605746569 /nfs/dbraw/zinc/74/65/69/605746569.db2.gz NTPFRUQRWWPWEZ-CQSZACIVSA-N -1 1 383.452 2.632 20 50 GFGDMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(CCCl)cc1 ZINC000826493477 607868708 /nfs/dbraw/zinc/86/87/08/607868708.db2.gz MHVFGFZRNNAYMP-UHFFFAOYSA-N -1 1 382.804 2.555 20 50 GFGDMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(CCCl)cc1 ZINC000826493477 607868709 /nfs/dbraw/zinc/86/87/09/607868709.db2.gz MHVFGFZRNNAYMP-UHFFFAOYSA-N -1 1 382.804 2.555 20 50 GFGDMM CCC(CC)n1nc(C)cc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825114032 608583727 /nfs/dbraw/zinc/58/37/27/608583727.db2.gz IIVBMRWDJGARBP-UHFFFAOYSA-N -1 1 387.448 2.601 20 50 GFGDMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833745862 605632564 /nfs/dbraw/zinc/63/25/64/605632564.db2.gz FBVGQGWYLSYISY-UHFFFAOYSA-N -1 1 383.452 2.594 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cc(F)c(Cl)cc2F)o1 ZINC000824358165 608120388 /nfs/dbraw/zinc/12/03/88/608120388.db2.gz ARDQQLAVHLJSOP-UHFFFAOYSA-N -1 1 383.746 2.667 20 50 GFGDMM O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823280861 606591844 /nfs/dbraw/zinc/59/18/44/606591844.db2.gz HGHRNNJPMNMGDV-UHFFFAOYSA-N -1 1 399.314 2.612 20 50 GFGDMM O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823280861 606591846 /nfs/dbraw/zinc/59/18/46/606591846.db2.gz HGHRNNJPMNMGDV-UHFFFAOYSA-N -1 1 399.314 2.612 20 50 GFGDMM CC(=NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948804 608094552 /nfs/dbraw/zinc/09/45/52/608094552.db2.gz YVIDIZFEUAJUAO-UHFFFAOYSA-N -1 1 392.448 2.781 20 50 GFGDMM O=C(NNc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000826447544 607340010 /nfs/dbraw/zinc/34/00/10/607340010.db2.gz KOXSJDSDSJHMAF-UHFFFAOYSA-N -1 1 383.206 2.587 20 50 GFGDMM O=C(NNc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000826447544 607340012 /nfs/dbraw/zinc/34/00/12/607340012.db2.gz KOXSJDSDSJHMAF-UHFFFAOYSA-N -1 1 383.206 2.587 20 50 GFGDMM Cc1ccsc1CCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826316629 607676230 /nfs/dbraw/zinc/67/62/30/607676230.db2.gz UDUJOVGRQFKEIN-UHFFFAOYSA-N -1 1 375.458 2.814 20 50 GFGDMM CC(=NNC(=O)c1ccc(Br)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000823947990 608093287 /nfs/dbraw/zinc/09/32/87/608093287.db2.gz AQMAUEQOILRYAM-UHFFFAOYSA-N -1 1 397.283 2.906 20 50 GFGDMM CC(=NNC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948233 608094242 /nfs/dbraw/zinc/09/42/42/608094242.db2.gz IJJPGBSUZNRBDZ-UHFFFAOYSA-N -1 1 375.845 2.805 20 50 GFGDMM COc1ccccc1SCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000826221037 608095179 /nfs/dbraw/zinc/09/51/79/608095179.db2.gz LVNFLCBXIWIOJF-UHFFFAOYSA-N -1 1 388.478 2.569 20 50 GFGDMM O=C([N-]Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(F)(F)c1ccccc1F ZINC000826446432 609497802 /nfs/dbraw/zinc/49/78/02/609497802.db2.gz LNKOOVFIULSBDS-UHFFFAOYSA-N -1 1 382.733 2.894 20 50 GFGDMM O=C([O-])N[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000832091520 603497176 /nfs/dbraw/zinc/49/71/76/603497176.db2.gz DYNSPIVZXDCEJI-HNNXBMFYSA-N -1 1 387.779 2.856 20 50 GFGDMM CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948218 608094121 /nfs/dbraw/zinc/09/41/21/608094121.db2.gz HULUTJPHJDAXJT-UHFFFAOYSA-N -1 1 379.405 2.737 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccc([C@H]3CCCOC3)c2)o1 ZINC000824359549 608340078 /nfs/dbraw/zinc/34/00/78/608340078.db2.gz WVKQGFOHBCGCFQ-AWEZNQCLSA-N -1 1 397.439 2.629 20 50 GFGDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1ccc(F)cc1C ZINC000826268964 607392956 /nfs/dbraw/zinc/39/29/56/607392956.db2.gz VLUZKINDONKHPG-UHFFFAOYSA-N -1 1 381.371 2.763 20 50 GFGDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNc1ccc(F)cc1C ZINC000826268964 607392958 /nfs/dbraw/zinc/39/29/58/607392958.db2.gz VLUZKINDONKHPG-UHFFFAOYSA-N -1 1 381.371 2.763 20 50 GFGDMM O=C([O-])N[C@@H](CCC(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000832121208 603497422 /nfs/dbraw/zinc/49/74/22/603497422.db2.gz UZCIYQUBOKYVOZ-HNNXBMFYSA-N -1 1 381.388 2.983 20 50 GFGDMM CC(=NNC(=O)c1cc(C)nc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823948655 608091666 /nfs/dbraw/zinc/09/16/66/608091666.db2.gz TYBLTFQPYBVDJH-UHFFFAOYSA-N -1 1 377.433 2.939 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=Cc2ccc3[nH]ccc3c2)o1 ZINC000824358355 608237482 /nfs/dbraw/zinc/23/74/82/608237482.db2.gz IBCLYVVIAIQXFA-GQCTYLIASA-N -1 1 378.396 2.616 20 50 GFGDMM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826256477 607396644 /nfs/dbraw/zinc/39/66/44/607396644.db2.gz LFZWRYZZHXFSKR-UHFFFAOYSA-N -1 1 379.243 2.756 20 50 GFGDMM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826256477 607396646 /nfs/dbraw/zinc/39/66/46/607396646.db2.gz LFZWRYZZHXFSKR-UHFFFAOYSA-N -1 1 379.243 2.756 20 50 GFGDMM CCN(CC)Cc1ccc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)o1 ZINC000827046487 603822301 /nfs/dbraw/zinc/82/23/01/603822301.db2.gz UVRWPVZQSSJFBG-UHFFFAOYSA-N -1 1 384.436 2.926 20 50 GFGDMM CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948711 608093275 /nfs/dbraw/zinc/09/32/75/608093275.db2.gz UTBMVJAXRDTMOZ-ZDUSSCGKSA-N -1 1 384.465 2.853 20 50 GFGDMM CCC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825029545 607621668 /nfs/dbraw/zinc/62/16/68/607621668.db2.gz VVKKRPDCXMVREE-ZRDIBKRKSA-N -1 1 397.439 2.923 20 50 GFGDMM CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948710 608093108 /nfs/dbraw/zinc/09/31/08/608093108.db2.gz UTBMVJAXRDTMOZ-CYBMUJFWSA-N -1 1 384.465 2.853 20 50 GFGDMM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826447806 607397011 /nfs/dbraw/zinc/39/70/11/607397011.db2.gz WVTWUOWZKPYZFW-UHFFFAOYSA-N -1 1 384.343 2.626 20 50 GFGDMM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826447806 607397013 /nfs/dbraw/zinc/39/70/13/607397013.db2.gz WVTWUOWZKPYZFW-UHFFFAOYSA-N -1 1 384.343 2.626 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)Cc2ccccc2Cl)o1 ZINC000824458268 607817573 /nfs/dbraw/zinc/81/75/73/607817573.db2.gz UZDDRHYJLDJDKW-JTQLQIEISA-N -1 1 389.847 2.953 20 50 GFGDMM COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000826180191 608095040 /nfs/dbraw/zinc/09/50/40/608095040.db2.gz WJQGAYBRQRNYRH-UHFFFAOYSA-N -1 1 376.829 2.744 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccccc2OC(F)(F)F)o1 ZINC000824358938 608550631 /nfs/dbraw/zinc/55/06/31/608550631.db2.gz SONDODLSCMJPGB-UHFFFAOYSA-N -1 1 397.317 2.634 20 50 GFGDMM CC[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825038575 608583975 /nfs/dbraw/zinc/58/39/75/608583975.db2.gz FSOXRIONLCMFFI-CYBMUJFWSA-N -1 1 385.428 2.624 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCc3c2cccc3Cl)o1 ZINC000824352338 608583866 /nfs/dbraw/zinc/58/38/66/608583866.db2.gz ADXLBVZBMSEAOO-LLVKDONJSA-N -1 1 387.831 2.805 20 50 GFGDMM Cc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)cc(C)c1OCC(=O)[O-] ZINC000832864539 601624621 /nfs/dbraw/zinc/62/46/21/601624621.db2.gz MORIJKNRUZQVEH-UHFFFAOYSA-N -1 1 382.372 2.588 20 50 GFGDMM CCC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825029544 607621710 /nfs/dbraw/zinc/62/17/10/607621710.db2.gz VVKKRPDCXMVREE-BENRWUELSA-N -1 1 397.439 2.923 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)Cc2ccccc2Cl)o1 ZINC000824458269 607817731 /nfs/dbraw/zinc/81/77/31/607817731.db2.gz UZDDRHYJLDJDKW-SNVBAGLBSA-N -1 1 389.847 2.953 20 50 GFGDMM CC[C@H](C)n1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1C1CC1 ZINC000825080551 608027736 /nfs/dbraw/zinc/02/77/36/608027736.db2.gz AHHZPPKCGCXAQH-JTQLQIEISA-N -1 1 399.459 2.780 20 50 GFGDMM CCC(CC)(CNC(=O)NNC(=O)c1c(Cl)cccc1Cl)NC(=O)[O-] ZINC000826541233 603546156 /nfs/dbraw/zinc/54/61/56/603546156.db2.gz SBQIRDOQTBWIAY-UHFFFAOYSA-N -1 1 391.255 2.764 20 50 GFGDMM O=C([O-])N[C@@H](CCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)c1ccccc1 ZINC000832122115 604005049 /nfs/dbraw/zinc/00/50/49/604005049.db2.gz ZMNOHKHJHWYALY-AWEZNQCLSA-N -1 1 381.392 2.568 20 50 GFGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)o1 ZINC000824352377 607817801 /nfs/dbraw/zinc/81/78/01/607817801.db2.gz BKQMGRHXBXQXRA-AWEZNQCLSA-N -1 1 399.455 2.978 20 50 GFGDMM C[C@@H](c1ccncc1)N1CCC(NC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833550530 605746468 /nfs/dbraw/zinc/74/64/68/605746468.db2.gz NTPFRUQRWWPWEZ-AWEZNQCLSA-N -1 1 383.452 2.632 20 50 GFGDMM CCOc1cc(Cl)ccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825615605 609450435 /nfs/dbraw/zinc/45/04/35/609450435.db2.gz CENNGVUURVKWQT-UHFFFAOYSA-N -1 1 391.819 2.787 20 50 GFGDMM O=C([O-])N1CCC[C@@H](C(=O)NNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000831735945 605290286 /nfs/dbraw/zinc/29/02/86/605290286.db2.gz FJOFHCSRPKHCTO-SECBINFHSA-N -1 1 381.841 2.706 20 50 GFGDMM CC(=NNC(=O)c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953494 608095118 /nfs/dbraw/zinc/09/51/18/608095118.db2.gz CQFNGPVGAGTDNQ-UHFFFAOYSA-N -1 1 391.254 2.845 20 50 GFGDMM