smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1CCCN(c2ccccn2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000218206808 136203690 /nfs/dbraw/zinc/20/36/90/136203690.db2.gz XGUHNUDXPWUGLW-LJQANCHMSA-N 1 2 386.540 2.449 50 70 GEIALO Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)CC2)c1 ZINC000218385962 136203670 /nfs/dbraw/zinc/20/36/70/136203670.db2.gz HFDGQWDUFCQNGD-FQEVSTJZSA-N 1 2 381.524 2.252 50 70 GEIALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC000218117247 570325750 /nfs/dbraw/zinc/32/57/50/570325750.db2.gz HMAWHXDGXITHSQ-TXEJJXNPSA-N 1 2 379.867 2.274 50 70 GEIALO C[NH+](C)Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cs1 ZINC000218142839 570325940 /nfs/dbraw/zinc/32/59/40/570325940.db2.gz WIIQBDCWSAABFJ-GDBMZVCRSA-N 1 2 379.457 2.310 50 70 GEIALO COCCn1c(C)cc(C)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1=O ZINC000218488622 570335224 /nfs/dbraw/zinc/33/52/24/570335224.db2.gz CDSPHSQCHHUDDD-LJQANCHMSA-N 1 2 394.475 2.364 50 70 GEIALO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](CC1=Cc3cc(Cl)ccc3OC1)C2 ZINC000217921513 570322756 /nfs/dbraw/zinc/32/27/56/570322756.db2.gz OGWMUQUAFQOTDV-GOSISDBHSA-N 1 2 375.856 2.244 50 70 GEIALO OC[C@@H](O)c1cc2n(n1)CCC[N@@H+](CC1=Cc3cc(Cl)ccc3OC1)C2 ZINC000217921513 570322759 /nfs/dbraw/zinc/32/27/59/570322759.db2.gz OGWMUQUAFQOTDV-GOSISDBHSA-N 1 2 375.856 2.244 50 70 GEIALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000218749174 570340344 /nfs/dbraw/zinc/34/03/44/570340344.db2.gz HTHLNSFOJQBJIQ-SFHVURJKSA-N 1 2 384.480 2.339 50 70 GEIALO C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnc(C[NH+]3CCCC3)s1)C2 ZINC000217926927 570322747 /nfs/dbraw/zinc/32/27/47/570322747.db2.gz GJGNZZFLRGWPBG-CYBMUJFWSA-N 1 2 375.498 2.035 50 70 GEIALO COc1cccc2c(O)c(C(=O)N3CC[NH+](CCc4ccccn4)CC3)cnc12 ZINC000218245152 570328572 /nfs/dbraw/zinc/32/85/72/570328572.db2.gz GBRCSHNKMRDNMF-UHFFFAOYSA-N 1 2 392.459 2.345 50 70 GEIALO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000218678928 570339009 /nfs/dbraw/zinc/33/90/09/570339009.db2.gz LUFBGBAWACVTOP-LJQANCHMSA-N 1 2 390.487 2.486 50 70 GEIALO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000218678928 570339011 /nfs/dbraw/zinc/33/90/11/570339011.db2.gz LUFBGBAWACVTOP-LJQANCHMSA-N 1 2 390.487 2.486 50 70 GEIALO OC[C@H](O)c1cc2n(n1)CCC[N@H+](CC1=Cc3cc(Cl)ccc3OC1)C2 ZINC000217921602 570322682 /nfs/dbraw/zinc/32/26/82/570322682.db2.gz OGWMUQUAFQOTDV-SFHVURJKSA-N 1 2 375.856 2.244 50 70 GEIALO OC[C@H](O)c1cc2n(n1)CCC[N@@H+](CC1=Cc3cc(Cl)ccc3OC1)C2 ZINC000217921602 570322685 /nfs/dbraw/zinc/32/26/85/570322685.db2.gz OGWMUQUAFQOTDV-SFHVURJKSA-N 1 2 375.856 2.244 50 70 GEIALO O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCCn1cc[nH+]c1 ZINC000218540338 570925535 /nfs/dbraw/zinc/92/55/35/570925535.db2.gz MFKYOMCLBXIJRF-KRWDZBQOSA-N 1 2 391.431 2.058 50 70 GEIALO O=C(CCCn1cc[nH+]c1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000218282297 570329613 /nfs/dbraw/zinc/32/96/13/570329613.db2.gz KRDOCIXAHLNSSO-FQEVSTJZSA-N 1 2 379.464 2.178 50 70 GEIALO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000218678996 570338987 /nfs/dbraw/zinc/33/89/87/570338987.db2.gz LUFBGBAWACVTOP-IBGZPJMESA-N 1 2 390.487 2.486 50 70 GEIALO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000218678996 570338991 /nfs/dbraw/zinc/33/89/91/570338991.db2.gz LUFBGBAWACVTOP-IBGZPJMESA-N 1 2 390.487 2.486 50 70 GEIALO COc1ccc2c(c1)ncc(C(=O)N1CC[NH+](CCc3ccncc3)CC1)c2O ZINC000218254506 570329114 /nfs/dbraw/zinc/32/91/14/570329114.db2.gz OVQLSLXWZJHNDZ-UHFFFAOYSA-N 1 2 392.459 2.345 50 70 GEIALO COc1ccc2ncc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)c(O)c2c1 ZINC000218305058 570330684 /nfs/dbraw/zinc/33/06/84/570330684.db2.gz SANYICDNIUXTSM-UHFFFAOYSA-N 1 2 392.459 2.345 50 70 GEIALO COc1ccc2ncc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)c(O)c2c1 ZINC000218336416 570331685 /nfs/dbraw/zinc/33/16/85/570331685.db2.gz XSNPDUAJKVWCQC-UHFFFAOYSA-N 1 2 392.459 2.345 50 70 GEIALO C[NH+](C)Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cs1 ZINC000218157822 570326648 /nfs/dbraw/zinc/32/66/48/570326648.db2.gz PHMDTECOVSQTRL-NVXWUHKLSA-N 1 2 375.494 2.309 50 70 GEIALO O=C(c1cnc2ccc(F)cc2c1O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000218372619 570332884 /nfs/dbraw/zinc/33/28/84/570332884.db2.gz WWPHSJVFEFMUAZ-UHFFFAOYSA-N 1 2 380.423 2.475 50 70 GEIALO COCCn1c(C)cc(C)c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1=O ZINC000218488701 570335069 /nfs/dbraw/zinc/33/50/69/570335069.db2.gz CDSPHSQCHHUDDD-IBGZPJMESA-N 1 2 394.475 2.364 50 70 GEIALO O=C(c1cnc2c(F)cccc2c1O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000218187947 570327615 /nfs/dbraw/zinc/32/76/15/570327615.db2.gz VQVNVBCXWXXFCF-UHFFFAOYSA-N 1 2 380.423 2.475 50 70 GEIALO COc1cccc2c(O)c(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cnc12 ZINC000218375182 570824375 /nfs/dbraw/zinc/82/43/75/570824375.db2.gz AHNAQOZEQBZENV-UHFFFAOYSA-N 1 2 392.459 2.345 50 70 GEIALO Cc1cccc(N2CCN(CC(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)CC2)c1 ZINC000218386046 136203627 /nfs/dbraw/zinc/20/36/27/136203627.db2.gz HFDGQWDUFCQNGD-HXUWFJFHSA-N 1 2 381.524 2.252 50 70 GEIALO O=C(NC[C@@H]1CCCN(c2ccccn2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000218206747 136203713 /nfs/dbraw/zinc/20/37/13/136203713.db2.gz XGUHNUDXPWUGLW-IBGZPJMESA-N 1 2 386.540 2.449 50 70 GEIALO C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cnc(C[NH+]3CCCC3)s1)C2 ZINC000217927017 570322713 /nfs/dbraw/zinc/32/27/13/570322713.db2.gz GJGNZZFLRGWPBG-ZDUSSCGKSA-N 1 2 375.498 2.035 50 70 GEIALO O=C(CCCn1cc[nH+]c1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000218282385 570329541 /nfs/dbraw/zinc/32/95/41/570329541.db2.gz KRDOCIXAHLNSSO-HXUWFJFHSA-N 1 2 379.464 2.178 50 70 GEIALO CC[C@H](Cn1cc[nH+]c1)NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000218749225 570340349 /nfs/dbraw/zinc/34/03/49/570340349.db2.gz HTHLNSFOJQBJIQ-GOSISDBHSA-N 1 2 384.480 2.339 50 70 GEIALO