smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 ZINC000013638281 556541958 /nfs/dbraw/zinc/54/19/58/556541958.db2.gz FIRLPZSJMZVNJC-QFIPXVFZSA-N 1 2 427.512 3.439 40 10 IGCBLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)ncc1C(=O)N(C)C ZINC000019765688 556910666 /nfs/dbraw/zinc/91/06/66/556910666.db2.gz LPNGASYFMNPELM-QFIPXVFZSA-N 1 2 441.551 3.190 40 10 IGCBLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)ncc1C(=O)N(C)C ZINC000019765688 556910669 /nfs/dbraw/zinc/91/06/69/556910669.db2.gz LPNGASYFMNPELM-QFIPXVFZSA-N 1 2 441.551 3.190 40 10 IGCBLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150602 556991201 /nfs/dbraw/zinc/99/12/01/556991201.db2.gz ZPFBYZXLZPIINH-IMIIHFCZSA-N 1 2 449.551 3.305 40 10 IGCBLO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000013504884 535722468 /nfs/dbraw/zinc/72/24/68/535722468.db2.gz CQJBLWYXTBRFLV-HSZRJFAPSA-N 1 2 436.560 3.402 40 10 IGCBLO Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409223433 557017719 /nfs/dbraw/zinc/01/77/19/557017719.db2.gz FSVGKMJGDIJXIJ-FYJGNVAPSA-N 1 2 429.480 3.222 40 10 IGCBLO COc1ccc2c(c1)c(/C=C1\SC(=S)N(CCC[NH+]3CCOCC3)C1=O)c(C)n2C ZINC000102736844 557306885 /nfs/dbraw/zinc/30/68/85/557306885.db2.gz IAMWEXQZWNBUQN-ZHZULCJRSA-N 1 2 445.610 3.419 40 10 IGCBLO COc1ccc(N2CCN(C(=O)C[NH+]3CCN(c4cc(Cl)ccc4C)CC3)CC2)cc1 ZINC000057711545 557258760 /nfs/dbraw/zinc/25/87/60/557258760.db2.gz VGFZTOHDNMRCEQ-UHFFFAOYSA-N 1 2 442.991 3.128 40 10 IGCBLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230819 569205499 /nfs/dbraw/zinc/20/54/99/569205499.db2.gz ZPFBYZXLZPIINH-IFOBJOEFSA-N 1 2 449.551 3.305 40 10 IGCBLO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000013504885 132348424 /nfs/dbraw/zinc/34/84/24/132348424.db2.gz CQJBLWYXTBRFLV-QHCPKHFHSA-N 1 2 436.560 3.402 40 10 IGCBLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C1 ZINC000012117815 524107154 /nfs/dbraw/zinc/10/71/54/524107154.db2.gz AIEXUTVDTPHYBF-KRWDZBQOSA-N 1 2 425.552 3.304 40 10 IGCBLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C1 ZINC000012117815 524107160 /nfs/dbraw/zinc/10/71/60/524107160.db2.gz AIEXUTVDTPHYBF-KRWDZBQOSA-N 1 2 425.552 3.304 40 10 IGCBLO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000223163775 557440569 /nfs/dbraw/zinc/44/05/69/557440569.db2.gz OQMWSQPZCPTSEE-BJKOFHAPSA-N 1 2 447.608 3.485 40 10 IGCBLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000257214990 568671920 /nfs/dbraw/zinc/67/19/20/568671920.db2.gz COEYEVDNWKLBGX-OAQYLSRUSA-N 1 2 448.615 3.403 40 10 IGCBLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000257214990 568671921 /nfs/dbraw/zinc/67/19/21/568671921.db2.gz COEYEVDNWKLBGX-OAQYLSRUSA-N 1 2 448.615 3.403 40 10 IGCBLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C[C@H](C)O1 ZINC000072347302 556918803 /nfs/dbraw/zinc/91/88/03/556918803.db2.gz XRQMQFAPGNXVQI-IRXDYDNUSA-N 1 2 441.551 3.093 40 10 IGCBLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C[C@H](C)O1 ZINC000072347302 556918806 /nfs/dbraw/zinc/91/88/06/556918806.db2.gz XRQMQFAPGNXVQI-IRXDYDNUSA-N 1 2 441.551 3.093 40 10 IGCBLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC000072372392 556942586 /nfs/dbraw/zinc/94/25/86/556942586.db2.gz VEJZZYDMSKNRLX-HSZRJFAPSA-N 1 2 434.588 3.142 40 10 IGCBLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC000072372392 556942589 /nfs/dbraw/zinc/94/25/89/556942589.db2.gz VEJZZYDMSKNRLX-HSZRJFAPSA-N 1 2 434.588 3.142 40 10 IGCBLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C1 ZINC000012117814 524247902 /nfs/dbraw/zinc/24/79/02/524247902.db2.gz AIEXUTVDTPHYBF-QGZVFWFLSA-N 1 2 425.552 3.304 40 10 IGCBLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C1 ZINC000012117814 524247914 /nfs/dbraw/zinc/24/79/14/524247914.db2.gz AIEXUTVDTPHYBF-QGZVFWFLSA-N 1 2 425.552 3.304 40 10 IGCBLO CCOC(=O)C1CC[NH+](CN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)CC1 ZINC000033329902 568866438 /nfs/dbraw/zinc/86/64/38/568866438.db2.gz IULCEPZGMPAXGC-AQTBWJFISA-N 1 2 433.599 3.186 40 10 IGCBLO CN(C)c1ccc([C@@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 ZINC000013638277 556542000 /nfs/dbraw/zinc/54/20/00/556542000.db2.gz FIRLPZSJMZVNJC-JOCHJYFZSA-N 1 2 427.512 3.439 40 10 IGCBLO COc1ccc2nc(/C=C3\SC(=S)N(CCC[NH+]4CCOCC4)C3=O)ccc2c1 ZINC000102732251 557306853 /nfs/dbraw/zinc/30/68/53/557306853.db2.gz PLHFTSCRPKYVAV-RGEXLXHISA-N 1 2 429.567 3.167 40 10 IGCBLO O=C(CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCCn1cc[nH+]c1 ZINC000033585850 557415372 /nfs/dbraw/zinc/41/53/72/557415372.db2.gz DQMFDZCJCCYJNO-LGMDPLHJSA-N 1 2 432.546 3.210 40 10 IGCBLO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000223163673 557440526 /nfs/dbraw/zinc/44/05/26/557440526.db2.gz OQMWSQPZCPTSEE-DNQXCXABSA-N 1 2 447.608 3.485 40 10 IGCBLO COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)NC1=S ZINC000409174479 556984975 /nfs/dbraw/zinc/98/49/75/556984975.db2.gz UNSQAESNJDOXHT-XDJHFCHBSA-N 1 2 446.532 3.383 40 10 IGCBLO COc1cccc2ccc(/C=C3\SC(=S)N(CCC[NH+]4CCOCC4)C3=O)nc21 ZINC000102731031 557306460 /nfs/dbraw/zinc/30/64/60/557306460.db2.gz VMHIBNMBDKJHJE-JXAWBTAJSA-N 1 2 429.567 3.167 40 10 IGCBLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293559 556688743 /nfs/dbraw/zinc/68/87/43/556688743.db2.gz ZPFBYZXLZPIINH-BILGYAHESA-N 1 2 449.551 3.305 40 10 IGCBLO CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[NH+]2Cc3ccccc3C2)C1)c1ccccc1 ZINC000585165369 557126774 /nfs/dbraw/zinc/12/67/74/557126774.db2.gz KDHSJFUUFISUCO-OAQYLSRUSA-N 1 2 443.551 3.408 40 10 IGCBLO CCOC(=O)Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000001610081 535748600 /nfs/dbraw/zinc/74/86/00/535748600.db2.gz KBQDTKPLFIAEIG-UHFFFAOYSA-N 1 2 436.508 3.235 40 10 IGCBLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004092588 555961688 /nfs/dbraw/zinc/96/16/88/555961688.db2.gz ZPFBYZXLZPIINH-YGWSKSRPSA-N 1 2 449.551 3.305 40 10 IGCBLO COC(=O)C=C1[NH2+]N(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]CCc1ccc(F)cc1 ZINC000017094399 557484333 /nfs/dbraw/zinc/48/43/33/557484333.db2.gz NQSMVETXORYMGO-JCMHNJIXSA-N 1 2 425.460 3.206 40 10 IGCBLO CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+]C4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000020291547 569359510 /nfs/dbraw/zinc/35/95/10/569359510.db2.gz AGMQOTOFXQLJCG-NJDAHSKKSA-N 1 2 446.503 3.027 40 10 IGCBLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)ncc1C(=O)N(C)C ZINC000019765689 556910605 /nfs/dbraw/zinc/91/06/05/556910605.db2.gz LPNGASYFMNPELM-JOCHJYFZSA-N 1 2 441.551 3.190 40 10 IGCBLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)ncc1C(=O)N(C)C ZINC000019765689 556910608 /nfs/dbraw/zinc/91/06/08/556910608.db2.gz LPNGASYFMNPELM-JOCHJYFZSA-N 1 2 441.551 3.190 40 10 IGCBLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000257214989 568671932 /nfs/dbraw/zinc/67/19/32/568671932.db2.gz COEYEVDNWKLBGX-NRFANRHFSA-N 1 2 448.615 3.403 40 10 IGCBLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000257214989 568671933 /nfs/dbraw/zinc/67/19/33/568671933.db2.gz COEYEVDNWKLBGX-NRFANRHFSA-N 1 2 448.615 3.403 40 10 IGCBLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc3c(c1)CCN3C(C)C)CC2 ZINC000257227254 568677652 /nfs/dbraw/zinc/67/76/52/568677652.db2.gz FOISFZLJEGLGDO-NRFANRHFSA-N 1 2 448.615 3.183 40 10 IGCBLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc3c(c1)CCN3C(C)C)CC2 ZINC000257227254 568677653 /nfs/dbraw/zinc/67/76/53/568677653.db2.gz FOISFZLJEGLGDO-NRFANRHFSA-N 1 2 448.615 3.183 40 10 IGCBLO CCN1CCCc2cc(C[N@@H+]3CCc4nc([C@@H]5CCN(C(C)=O)C5)nc(NC)c4C3)ccc21 ZINC000257286928 568705344 /nfs/dbraw/zinc/70/53/44/568705344.db2.gz PNRLBOVHVHIKDS-OAQYLSRUSA-N 1 2 448.615 3.185 40 10 IGCBLO CCN1CCCc2cc(C[N@H+]3CCc4nc([C@@H]5CCN(C(C)=O)C5)nc(NC)c4C3)ccc21 ZINC000257286928 568705345 /nfs/dbraw/zinc/70/53/45/568705345.db2.gz PNRLBOVHVHIKDS-OAQYLSRUSA-N 1 2 448.615 3.185 40 10 IGCBLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)[C@@H]2c1ccc(N(C)C)cc1 ZINC000261365400 569315967 /nfs/dbraw/zinc/31/59/67/569315967.db2.gz RYWBNQJELZAVEZ-FQEVSTJZSA-O 1 2 442.952 3.491 40 10 IGCBLO COc1ccc(N2CC[NH+]([C@@H](c3nnnn3C(C)C)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000013504325 132348039 /nfs/dbraw/zinc/34/80/39/132348039.db2.gz MAOZIGYZLZLERU-HSZRJFAPSA-N 1 2 435.576 3.240 40 10 IGCBLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150603 556991209 /nfs/dbraw/zinc/99/12/09/556991209.db2.gz ZPFBYZXLZPIINH-MSZDEVHKSA-N 1 2 449.551 3.305 40 10 IGCBLO Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409391087 557095568 /nfs/dbraw/zinc/09/55/68/557095568.db2.gz GYPWWJBFDQJRMS-KGENOOAVSA-N 1 2 429.480 3.222 40 10 IGCBLO COc1ccc(N2CC[NH+]([C@H](c3nnnn3C(C)(C)C)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000013503980 132347504 /nfs/dbraw/zinc/34/75/04/132347504.db2.gz MNRQNCRKBPJECU-QHCPKHFHSA-N 1 2 449.603 3.414 40 10 IGCBLO CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+]C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000101057359 556652979 /nfs/dbraw/zinc/65/29/79/556652979.db2.gz AGMQOTOFXQLJCG-QHAWAJNXSA-N 1 2 446.503 3.027 40 10 IGCBLO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000223163850 557440562 /nfs/dbraw/zinc/44/05/62/557440562.db2.gz OQMWSQPZCPTSEE-ZEQRLZLVSA-N 1 2 447.608 3.485 40 10 IGCBLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC000072372393 556942497 /nfs/dbraw/zinc/94/24/97/556942497.db2.gz VEJZZYDMSKNRLX-QHCPKHFHSA-N 1 2 434.588 3.142 40 10 IGCBLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC000072372393 556942499 /nfs/dbraw/zinc/94/24/99/556942499.db2.gz VEJZZYDMSKNRLX-QHCPKHFHSA-N 1 2 434.588 3.142 40 10 IGCBLO CCC[NH+](CCC)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCC)NN32)cc1 ZINC000588224901 557151604 /nfs/dbraw/zinc/15/16/04/557151604.db2.gz JCZDYICVSAFIFZ-QFIPXVFZSA-N 1 2 435.597 3.209 40 10 IGCBLO O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCCn1cc[nH+]c1 ZINC000033527109 557403956 /nfs/dbraw/zinc/40/39/56/557403956.db2.gz IGAMEYZRZOSIFX-PZLZUMHWSA-N 1 2 426.567 3.237 40 10 IGCBLO CN(C)c1ccc([C@H]2NC3=[NH+]CN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 ZINC000013638273 556541544 /nfs/dbraw/zinc/54/15/44/556541544.db2.gz DWBPGVZHRQIGRE-QHCPKHFHSA-N 1 2 438.539 3.241 40 10 IGCBLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C[C@H](C)O1 ZINC000072347301 556918756 /nfs/dbraw/zinc/91/87/56/556918756.db2.gz XRQMQFAPGNXVQI-CALCHBBNSA-N 1 2 441.551 3.093 40 10 IGCBLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C[C@H](C)O1 ZINC000072347301 556918758 /nfs/dbraw/zinc/91/87/58/556918758.db2.gz XRQMQFAPGNXVQI-CALCHBBNSA-N 1 2 441.551 3.093 40 10 IGCBLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150605 557516246 /nfs/dbraw/zinc/51/62/46/557516246.db2.gz ZPFBYZXLZPIINH-BOCITWAFSA-N 1 2 449.551 3.305 40 10 IGCBLO COc1ccc(Cn2nnnc2[C@H](c2ccc(N(C)C)cc2)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000082061357 556654979 /nfs/dbraw/zinc/65/49/79/556654979.db2.gz HWMIXGQJZONQNT-QFIPXVFZSA-N 1 2 449.559 3.133 40 10 IGCBLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C[C@@H](C)O1 ZINC000072347303 556918561 /nfs/dbraw/zinc/91/85/61/556918561.db2.gz XRQMQFAPGNXVQI-IAGOWNOFSA-N 1 2 441.551 3.093 40 10 IGCBLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(N4CCCC4)c(F)c2)C3)C[C@@H](C)O1 ZINC000072347303 556918565 /nfs/dbraw/zinc/91/85/65/556918565.db2.gz XRQMQFAPGNXVQI-IAGOWNOFSA-N 1 2 441.551 3.093 40 10 IGCBLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)[C@H]2c1ccc(N(C)C)cc1 ZINC000261365401 557125999 /nfs/dbraw/zinc/12/59/99/557125999.db2.gz RYWBNQJELZAVEZ-HXUWFJFHSA-O 1 2 442.952 3.491 40 10 IGCBLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004092586 555961697 /nfs/dbraw/zinc/96/16/97/555961697.db2.gz ZPFBYZXLZPIINH-OYSWMMLKSA-N 1 2 449.551 3.305 40 10 IGCBLO CCC[NH+](CCC)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCC)NN32)cc1 ZINC000588224900 557151540 /nfs/dbraw/zinc/15/15/40/557151540.db2.gz JCZDYICVSAFIFZ-JOCHJYFZSA-N 1 2 435.597 3.209 40 10 IGCBLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000013504897 536594451 /nfs/dbraw/zinc/59/44/51/536594451.db2.gz IXVWGLCUAOUDGD-QHCPKHFHSA-N 1 2 436.560 3.258 40 10 IGCBLO COc1ccc(N2CC[NH+]([C@@H](c3nnnn3C(C)(C)C)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000013503981 132347479 /nfs/dbraw/zinc/34/74/79/132347479.db2.gz MNRQNCRKBPJECU-HSZRJFAPSA-N 1 2 449.603 3.414 40 10 IGCBLO COc1ccc(N2CC[NH+]([C@H](c3nnnn3C(C)C)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000013504324 132348042 /nfs/dbraw/zinc/34/80/42/132348042.db2.gz MAOZIGYZLZLERU-QHCPKHFHSA-N 1 2 435.576 3.240 40 10 IGCBLO CN(C)c1ccc([C@@H]2NC3=[NH+]CN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 ZINC000013638269 556541606 /nfs/dbraw/zinc/54/16/06/556541606.db2.gz DWBPGVZHRQIGRE-HSZRJFAPSA-N 1 2 438.539 3.241 40 10 IGCBLO COc1ccc(Cn2nnnc2[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000082061360 556655047 /nfs/dbraw/zinc/65/50/47/556655047.db2.gz HWMIXGQJZONQNT-JOCHJYFZSA-N 1 2 449.559 3.133 40 10 IGCBLO O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCCn1cc[nH+]c1 ZINC000033527001 557403937 /nfs/dbraw/zinc/40/39/37/557403937.db2.gz XNTNGHDBAAPYLO-VBKFSLOCSA-N 1 2 434.974 3.334 40 10 IGCBLO CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[NH+]2Cc3ccccc3C2)C1)c1ccccc1 ZINC000585165367 557126842 /nfs/dbraw/zinc/12/68/42/557126842.db2.gz KDHSJFUUFISUCO-NRFANRHFSA-N 1 2 443.551 3.408 40 10 IGCBLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000013504896 536593175 /nfs/dbraw/zinc/59/31/75/536593175.db2.gz IXVWGLCUAOUDGD-HSZRJFAPSA-N 1 2 436.560 3.258 40 10 IGCBLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000008036084 557168886 /nfs/dbraw/zinc/16/88/86/557168886.db2.gz ZPFBYZXLZPIINH-SRCYTUNASA-N 1 2 449.551 3.305 40 10 IGCBLO COc1ccc(N(C)CCC(=O)N2CCO[C@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C2)cc1 ZINC000257235400 568681676 /nfs/dbraw/zinc/68/16/76/568681676.db2.gz GXRDZARGBOFQQC-QHCPKHFHSA-N 1 2 447.539 3.161 40 10 IGCBLO COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([NH+](C)C)cc3)C(=O)NC2=S)cc1 ZINC000408952155 556898290 /nfs/dbraw/zinc/89/82/90/556898290.db2.gz KNWRUIFAYDGHPM-RCCKNPSSSA-N 1 2 446.532 3.383 40 10 IGCBLO COc1ccc(N(C)CCC(=O)N2CCO[C@@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C2)cc1 ZINC000257235399 568681679 /nfs/dbraw/zinc/68/16/79/568681679.db2.gz GXRDZARGBOFQQC-HSZRJFAPSA-N 1 2 447.539 3.161 40 10 IGCBLO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000223163729 557440522 /nfs/dbraw/zinc/44/05/22/557440522.db2.gz OQMWSQPZCPTSEE-RPWUZVMVSA-N 1 2 447.608 3.485 40 10 IGCBLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc3c(c1)CCN3C(C)C)CC2 ZINC000257227255 568677598 /nfs/dbraw/zinc/67/75/98/568677598.db2.gz FOISFZLJEGLGDO-OAQYLSRUSA-N 1 2 448.615 3.183 40 10 IGCBLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc3c(c1)CCN3C(C)C)CC2 ZINC000257227255 568677599 /nfs/dbraw/zinc/67/75/99/568677599.db2.gz FOISFZLJEGLGDO-OAQYLSRUSA-N 1 2 448.615 3.183 40 10 IGCBLO CCN1CCCc2cc(C[N@@H+]3CCc4nc([C@H]5CCN(C(C)=O)C5)nc(NC)c4C3)ccc21 ZINC000257286927 568705287 /nfs/dbraw/zinc/70/52/87/568705287.db2.gz PNRLBOVHVHIKDS-NRFANRHFSA-N 1 2 448.615 3.185 40 10 IGCBLO CCN1CCCc2cc(C[N@H+]3CCc4nc([C@H]5CCN(C(C)=O)C5)nc(NC)c4C3)ccc21 ZINC000257286927 568705289 /nfs/dbraw/zinc/70/52/89/568705289.db2.gz PNRLBOVHVHIKDS-NRFANRHFSA-N 1 2 448.615 3.185 40 10 IGCBLO