smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1c[nH+]ccc1N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000218068397 402294148 /nfs/dbraw/zinc/29/41/48/402294148.db2.gz RZUQCKVYWZQTBJ-ZIAGYGMSSA-N 1 2 309.366 2.463 50 70 DEIALO Cc1ccc2nc([C@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)[nH]c2c1 ZINC000159998925 197378822 /nfs/dbraw/zinc/37/88/22/197378822.db2.gz LSPIWVQRXSTMSA-AWEZNQCLSA-N 1 2 323.400 2.474 50 70 DEIALO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)nc2c1 ZINC000159998925 197378824 /nfs/dbraw/zinc/37/88/24/197378824.db2.gz LSPIWVQRXSTMSA-AWEZNQCLSA-N 1 2 323.400 2.474 50 70 DEIALO Cc1ccc2nc([C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)[nH]c2c1 ZINC000159998790 197378958 /nfs/dbraw/zinc/37/89/58/197378958.db2.gz LSPIWVQRXSTMSA-CQSZACIVSA-N 1 2 323.400 2.474 50 70 DEIALO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)nc2c1 ZINC000159998790 197378959 /nfs/dbraw/zinc/37/89/59/197378959.db2.gz LSPIWVQRXSTMSA-CQSZACIVSA-N 1 2 323.400 2.474 50 70 DEIALO CCNc1nc(C)c(C(=O)N[C@H](CC)Cn2cc[nH+]c2)s1 ZINC000217731232 402293556 /nfs/dbraw/zinc/29/35/56/402293556.db2.gz PUWWOWLWKVXBCJ-LLVKDONJSA-N 1 2 307.423 2.288 50 70 DEIALO Cc1ccccc1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC000160787981 402361021 /nfs/dbraw/zinc/36/10/21/402361021.db2.gz UFLYBFJMHWDSTG-UHFFFAOYSA-N 1 2 312.417 2.123 50 70 DEIALO CCCn1c(C)nnc1CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000161411826 402386499 /nfs/dbraw/zinc/38/64/99/402386499.db2.gz VWNSMOKRPGEMAC-UHFFFAOYSA-N 1 2 314.437 2.022 50 70 DEIALO Cc1ccc(C(=O)NC2CC[NH+](Cc3nccn3C)CC2)s1 ZINC000160882652 402364006 /nfs/dbraw/zinc/36/40/06/402364006.db2.gz WEDBCHHKLYSXEY-UHFFFAOYSA-N 1 2 318.446 2.184 50 70 DEIALO FC(F)(F)c1csc(N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000160415447 402344840 /nfs/dbraw/zinc/34/48/40/402344840.db2.gz XOEUVBYIKIIECD-JTQLQIEISA-N 1 2 321.368 2.463 50 70 DEIALO OCc1cc2n(n1)CC[N@H+](Cc1c[nH]nc1C1CCCCC1)C2 ZINC000217489841 402292612 /nfs/dbraw/zinc/29/26/12/402292612.db2.gz OPUAZXWNBHPEAJ-UHFFFAOYSA-N 1 2 315.421 2.162 50 70 DEIALO OCc1cc2n(n1)CC[N@@H+](Cc1c[nH]nc1C1CCCCC1)C2 ZINC000217489841 402292614 /nfs/dbraw/zinc/29/26/14/402292614.db2.gz OPUAZXWNBHPEAJ-UHFFFAOYSA-N 1 2 315.421 2.162 50 70 DEIALO Cc1ccc2[nH]c(CCC(=O)NCC3(C)COC3)[nH+]c2c1C ZINC000217615682 402293055 /nfs/dbraw/zinc/29/30/55/402293055.db2.gz YTKMIWLMJRNYMA-UHFFFAOYSA-N 1 2 301.390 2.265 50 70 DEIALO Cc1ccc2c(cc(C[N@@H+]3CCn4nc(CO)cc4C3)n2C)c1 ZINC000217016410 402290864 /nfs/dbraw/zinc/29/08/64/402290864.db2.gz OGZTYDOQYLLIKA-UHFFFAOYSA-N 1 2 310.401 2.191 50 70 DEIALO Cc1ccc2c(cc(C[N@H+]3CCn4nc(CO)cc4C3)n2C)c1 ZINC000217016410 402290868 /nfs/dbraw/zinc/29/08/68/402290868.db2.gz OGZTYDOQYLLIKA-UHFFFAOYSA-N 1 2 310.401 2.191 50 70 DEIALO CC[C@@H](O)c1cc2n(n1)CC[N@H+](CCOc1ccc(F)cc1)C2 ZINC000217189564 402291103 /nfs/dbraw/zinc/29/11/03/402291103.db2.gz QOSBECLDLWNMFG-QGZVFWFLSA-N 1 2 319.380 2.360 50 70 DEIALO CC[C@@H](O)c1cc2n(n1)CC[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000217189564 402291105 /nfs/dbraw/zinc/29/11/05/402291105.db2.gz QOSBECLDLWNMFG-QGZVFWFLSA-N 1 2 319.380 2.360 50 70 DEIALO CCCCn1c(C[N@@H+]2C[C@H](O)[C@@H](OCC)C2)nc2ccccc21 ZINC000218101193 402294643 /nfs/dbraw/zinc/29/46/43/402294643.db2.gz YESZEUMWESLNMW-IRXDYDNUSA-N 1 2 317.433 2.418 50 70 DEIALO CCCCn1c(C[N@H+]2C[C@H](O)[C@@H](OCC)C2)nc2ccccc21 ZINC000218101193 402294646 /nfs/dbraw/zinc/29/46/46/402294646.db2.gz YESZEUMWESLNMW-IRXDYDNUSA-N 1 2 317.433 2.418 50 70 DEIALO Cc1cc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)on1 ZINC000218237491 402295705 /nfs/dbraw/zinc/29/57/05/402295705.db2.gz GECOOEUFGHTAFE-INIZCTEOSA-N 1 2 310.357 2.165 50 70 DEIALO CC(C)CCOc1cccc(C[N@@H+]2CCN(C)[C@@H](CO)C2)c1 ZINC000216911021 402289957 /nfs/dbraw/zinc/28/99/57/402289957.db2.gz LQXHDDYXNJEJIM-QGZVFWFLSA-N 1 2 306.450 2.220 50 70 DEIALO CC(C)CCOc1cccc(C[N@H+]2CCN(C)[C@@H](CO)C2)c1 ZINC000216911021 402289958 /nfs/dbraw/zinc/28/99/58/402289958.db2.gz LQXHDDYXNJEJIM-QGZVFWFLSA-N 1 2 306.450 2.220 50 70 DEIALO O=C(N[C@H]1C=CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160703040 402357224 /nfs/dbraw/zinc/35/72/24/402357224.db2.gz IMBIEJGTYFDATQ-HNNXBMFYSA-N 1 2 300.406 2.018 50 70 DEIALO O=C(NC[C@H]1CCCN(c2cccc[nH+]2)C1)C(=O)c1ccccc1 ZINC000218579014 257274152 /nfs/dbraw/zinc/27/41/52/257274152.db2.gz SWFNIZPZDGRMDB-OAHLLOKOSA-N 1 2 323.396 2.297 50 70 DEIALO C[N@@H+]1CCN(C(=O)c2ncc(F)cc2F)C[C@H]1c1ccccc1 ZINC000217537889 402292867 /nfs/dbraw/zinc/29/28/67/402292867.db2.gz JMIOWQLPWFZQBS-HNNXBMFYSA-N 1 2 317.339 2.489 50 70 DEIALO C[N@H+]1CCN(C(=O)c2ncc(F)cc2F)C[C@H]1c1ccccc1 ZINC000217537889 402292868 /nfs/dbraw/zinc/29/28/68/402292868.db2.gz JMIOWQLPWFZQBS-HNNXBMFYSA-N 1 2 317.339 2.489 50 70 DEIALO O=C(CCn1cccn1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000218611647 257273860 /nfs/dbraw/zinc/27/38/60/257273860.db2.gz PPKAQDQZRMNYBO-MRXNPFEDSA-N 1 2 309.373 2.027 50 70 DEIALO O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000217562093 402293019 /nfs/dbraw/zinc/29/30/19/402293019.db2.gz HNCOHMSTAWNDFK-INIZCTEOSA-N 1 2 310.401 2.132 50 70 DEIALO FC(F)(F)c1csc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000160415315 402344912 /nfs/dbraw/zinc/34/49/12/402344912.db2.gz XOEUVBYIKIIECD-SNVBAGLBSA-N 1 2 321.368 2.463 50 70 DEIALO CC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccnc1NC)C2 ZINC000217147001 402291198 /nfs/dbraw/zinc/29/11/98/402291198.db2.gz NBELZKBRXBTANW-INIZCTEOSA-N 1 2 315.421 2.169 50 70 DEIALO CC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccnc1NC)C2 ZINC000217147001 402291199 /nfs/dbraw/zinc/29/11/99/402291199.db2.gz NBELZKBRXBTANW-INIZCTEOSA-N 1 2 315.421 2.169 50 70 DEIALO Cc1[nH]c2c(cccc2C[N@@H+]2CCn3nc(CO)cc3C2)c1C ZINC000217688058 402293651 /nfs/dbraw/zinc/29/36/51/402293651.db2.gz UJZAEQXFWOAPGN-UHFFFAOYSA-N 1 2 310.401 2.489 50 70 DEIALO Cc1[nH]c2c(cccc2C[N@H+]2CCn3nc(CO)cc3C2)c1C ZINC000217688058 402293655 /nfs/dbraw/zinc/29/36/55/402293655.db2.gz UJZAEQXFWOAPGN-UHFFFAOYSA-N 1 2 310.401 2.489 50 70 DEIALO O=C(NCCc1c[nH+]c[nH]1)c1cnc2c(Cl)cccc2c1O ZINC000218252900 402295482 /nfs/dbraw/zinc/29/54/82/402295482.db2.gz JPQBOVWDGRXOSQ-UHFFFAOYSA-N 1 2 316.748 2.289 50 70 DEIALO O=C(NCCc1c[nH]c[nH+]1)c1cnc2c(Cl)cccc2c1O ZINC000218252900 402295484 /nfs/dbraw/zinc/29/54/84/402295484.db2.gz JPQBOVWDGRXOSQ-UHFFFAOYSA-N 1 2 316.748 2.289 50 70 DEIALO O=C(CCn1cccn1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000218611551 257274045 /nfs/dbraw/zinc/27/40/45/257274045.db2.gz PPKAQDQZRMNYBO-INIZCTEOSA-N 1 2 309.373 2.027 50 70 DEIALO Cc1[nH+]c[nH]c1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000217193335 402291367 /nfs/dbraw/zinc/29/13/67/402291367.db2.gz CFOPFVYMCKIILJ-GOSISDBHSA-N 1 2 323.400 2.012 50 70 DEIALO C[NH+](C)[C@H](C(=O)N1CCC(C)(CO)CC1)c1ccccc1F ZINC000217199502 402291465 /nfs/dbraw/zinc/29/14/65/402291465.db2.gz AUBBJZCJMWEIHV-HNNXBMFYSA-N 1 2 308.397 2.049 50 70 DEIALO C[N@@H+]1CCN(C(=O)c2ncc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000217537792 402293028 /nfs/dbraw/zinc/29/30/28/402293028.db2.gz JMIOWQLPWFZQBS-OAHLLOKOSA-N 1 2 317.339 2.489 50 70 DEIALO C[N@H+]1CCN(C(=O)c2ncc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000217537792 402293032 /nfs/dbraw/zinc/29/30/32/402293032.db2.gz JMIOWQLPWFZQBS-OAHLLOKOSA-N 1 2 317.339 2.489 50 70 DEIALO Cc1cc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)on1 ZINC000218237404 402295411 /nfs/dbraw/zinc/29/54/11/402295411.db2.gz GECOOEUFGHTAFE-MRXNPFEDSA-N 1 2 310.357 2.165 50 70 DEIALO O=C(NCCc1c[nH+]c[nH]1)c1cnc2cc(Cl)ccc2c1O ZINC000218144915 201533908 /nfs/dbraw/zinc/53/39/08/201533908.db2.gz DINGUJUIEKYSQB-UHFFFAOYSA-N 1 2 316.748 2.289 50 70 DEIALO COC(C[N@@H+]1CCc2cccc(Br)c2C1)OC ZINC000161158738 402375538 /nfs/dbraw/zinc/37/55/38/402375538.db2.gz HSFDBEUUIMOURA-UHFFFAOYSA-N 1 2 300.196 2.426 50 70 DEIALO COC(C[N@H+]1CCc2cccc(Br)c2C1)OC ZINC000161158738 402375540 /nfs/dbraw/zinc/37/55/40/402375540.db2.gz HSFDBEUUIMOURA-UHFFFAOYSA-N 1 2 300.196 2.426 50 70 DEIALO CC[C@H](O)c1cc2n(n1)CC[N@H+](CCOc1ccc(F)cc1)C2 ZINC000217189569 402291453 /nfs/dbraw/zinc/29/14/53/402291453.db2.gz QOSBECLDLWNMFG-KRWDZBQOSA-N 1 2 319.380 2.360 50 70 DEIALO CC[C@H](O)c1cc2n(n1)CC[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000217189569 402291456 /nfs/dbraw/zinc/29/14/56/402291456.db2.gz QOSBECLDLWNMFG-KRWDZBQOSA-N 1 2 319.380 2.360 50 70 DEIALO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)nc(C)n1 ZINC000217971015 201529613 /nfs/dbraw/zinc/52/96/13/201529613.db2.gz ROSHLGAMOMLCHQ-MRXNPFEDSA-N 1 2 321.384 2.346 50 70 DEIALO CC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccnc1NC)C2 ZINC000217146987 402291322 /nfs/dbraw/zinc/29/13/22/402291322.db2.gz NBELZKBRXBTANW-MRXNPFEDSA-N 1 2 315.421 2.169 50 70 DEIALO CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccnc1NC)C2 ZINC000217146987 402291325 /nfs/dbraw/zinc/29/13/25/402291325.db2.gz NBELZKBRXBTANW-MRXNPFEDSA-N 1 2 315.421 2.169 50 70 DEIALO COc1ccc(C(=O)NCCn2cc[nH+]c2-c2cccnc2)cc1 ZINC000217866334 539727208 /nfs/dbraw/zinc/72/72/08/539727208.db2.gz KRDWAQWRBNINAB-UHFFFAOYSA-N 1 2 322.368 2.384 50 70 DEIALO OCc1cc2n(n1)CCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC000217699366 402293437 /nfs/dbraw/zinc/29/34/37/402293437.db2.gz YHWNNDRWWDWINM-UHFFFAOYSA-N 1 2 314.414 2.391 50 70 DEIALO OCc1cc2n(n1)CCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC000217699366 402293439 /nfs/dbraw/zinc/29/34/39/402293439.db2.gz YHWNNDRWWDWINM-UHFFFAOYSA-N 1 2 314.414 2.391 50 70 DEIALO O=C(NC[C@@H]1CCCN(c2cccc[nH+]2)C1)C(=O)c1ccccc1 ZINC000218578947 257274011 /nfs/dbraw/zinc/27/40/11/257274011.db2.gz SWFNIZPZDGRMDB-HNNXBMFYSA-N 1 2 323.396 2.297 50 70 DEIALO C[NH+](C)[C@@H](C(=O)N1CCC(C)(CO)CC1)c1ccccc1F ZINC000217199498 402291099 /nfs/dbraw/zinc/29/10/99/402291099.db2.gz AUBBJZCJMWEIHV-OAHLLOKOSA-N 1 2 308.397 2.049 50 70 DEIALO CCNc1nc(C)c(C(=O)NCc2cn3ccccc3[nH+]2)s1 ZINC000216990445 201506666 /nfs/dbraw/zinc/50/66/66/201506666.db2.gz UYKHRVQSHLOHIF-UHFFFAOYSA-N 1 2 315.402 2.461 50 70 DEIALO COc1ccc(F)c(F)c1C[N@@H+]1CCn2nc([C@H](C)O)cc2C1 ZINC000216998520 402290539 /nfs/dbraw/zinc/29/05/39/402290539.db2.gz WLCRGLXJXIIPNH-JTQLQIEISA-N 1 2 323.343 2.239 50 70 DEIALO COc1ccc(F)c(F)c1C[N@H+]1CCn2nc([C@H](C)O)cc2C1 ZINC000216998520 402290541 /nfs/dbraw/zinc/29/05/41/402290541.db2.gz WLCRGLXJXIIPNH-JTQLQIEISA-N 1 2 323.343 2.239 50 70 DEIALO Cc1nc2ccccc2nc1C[N@@H+]1CCCn2nc(CO)cc2C1 ZINC000217590715 402293169 /nfs/dbraw/zinc/29/31/69/402293169.db2.gz IMDPBGOZBVPYMX-UHFFFAOYSA-N 1 2 323.400 2.033 50 70 DEIALO Cc1nc2ccccc2nc1C[N@H+]1CCCn2nc(CO)cc2C1 ZINC000217590715 402293170 /nfs/dbraw/zinc/29/31/70/402293170.db2.gz IMDPBGOZBVPYMX-UHFFFAOYSA-N 1 2 323.400 2.033 50 70 DEIALO Cc1cccn2c(CNC(=O)c3ncc(F)cc3F)c[nH+]c12 ZINC000218179845 402294955 /nfs/dbraw/zinc/29/49/55/402294955.db2.gz HQODJNRKZZUZST-UHFFFAOYSA-N 1 2 302.284 2.246 50 70 DEIALO Cc1cc2[nH]c(CCNC(=O)[C@H]3CCC[C@@H](O)C3)[nH+]c2cc1C ZINC000218751839 402296658 /nfs/dbraw/zinc/29/66/58/402296658.db2.gz OKUISEQLRHYCDA-UONOGXRCSA-N 1 2 315.417 2.390 50 70 DEIALO CC(C)CCNc1nc(C(=O)NCCc2c[nH+]c[nH]2)cs1 ZINC000218145221 402294769 /nfs/dbraw/zinc/29/47/69/402294769.db2.gz XJEZFFAHSVEXJS-UHFFFAOYSA-N 1 2 307.423 2.297 50 70 DEIALO CC(C)CCNc1nc(C(=O)NCCc2c[nH]c[nH+]2)cs1 ZINC000218145221 402294771 /nfs/dbraw/zinc/29/47/71/402294771.db2.gz XJEZFFAHSVEXJS-UHFFFAOYSA-N 1 2 307.423 2.297 50 70 DEIALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)nc(C)n1 ZINC000217971105 402294449 /nfs/dbraw/zinc/29/44/49/402294449.db2.gz ROSHLGAMOMLCHQ-INIZCTEOSA-N 1 2 321.384 2.346 50 70 DEIALO CSc1ncccc1C(=O)N(C)CCCc1[nH+]ccn1C ZINC000218567160 333394085 /nfs/dbraw/zinc/39/40/85/333394085.db2.gz NNLGJYHIQJSASX-UHFFFAOYSA-N 1 2 304.419 2.242 50 70 DEIALO CCc1ccc(C[N@@H+]2CCCn3nc([C@H](C)O)cc3C2)nc1 ZINC000218458014 402295918 /nfs/dbraw/zinc/29/59/18/402295918.db2.gz VHSVQZVPLHVUQO-ZDUSSCGKSA-N 1 2 300.406 2.300 50 70 DEIALO CCc1ccc(C[N@H+]2CCCn3nc([C@H](C)O)cc3C2)nc1 ZINC000218458014 402295921 /nfs/dbraw/zinc/29/59/21/402295921.db2.gz VHSVQZVPLHVUQO-ZDUSSCGKSA-N 1 2 300.406 2.300 50 70 DEIALO Cn1cc[nH+]c1CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000217987534 402294435 /nfs/dbraw/zinc/29/44/35/402294435.db2.gz HYXOKTXINRWMFX-UHFFFAOYSA-N 1 2 312.417 2.383 50 70 DEIALO O=C(NCCC1=CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160938817 402366726 /nfs/dbraw/zinc/36/67/26/402366726.db2.gz IHNSYLYDGZBVNV-UHFFFAOYSA-N 1 2 314.433 2.409 50 70 DEIALO CN(C)c1ccccc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000217137644 201511103 /nfs/dbraw/zinc/51/11/03/201511103.db2.gz LNPILNXHQKJBCH-HNNXBMFYSA-N 1 2 301.434 2.453 50 70 DEIALO Cc1[nH+]c[nH]c1CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000217193331 402291226 /nfs/dbraw/zinc/29/12/26/402291226.db2.gz CFOPFVYMCKIILJ-SFHVURJKSA-N 1 2 323.400 2.012 50 70 DEIALO Cc1cc(C)c(CNC(=O)CCCN2CCCCC2=O)c[nH+]1 ZINC000218059495 402294106 /nfs/dbraw/zinc/29/41/06/402294106.db2.gz QUQOYKOFOPJKFV-UHFFFAOYSA-N 1 2 303.406 2.107 50 70 DEIALO Cn1cc[nH+]c1CN(C(=O)[C@@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000218394116 402296202 /nfs/dbraw/zinc/29/62/02/402296202.db2.gz XBVULUCKODSYEV-HNNXBMFYSA-N 1 2 319.792 2.298 50 70 DEIALO O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000217562001 402293072 /nfs/dbraw/zinc/29/30/72/402293072.db2.gz HNCOHMSTAWNDFK-MRXNPFEDSA-N 1 2 310.401 2.132 50 70 DEIALO CSc1ncc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cn1 ZINC000218209956 402294668 /nfs/dbraw/zinc/29/46/68/402294668.db2.gz ZXFGTUDLDCLHCV-UHFFFAOYSA-N 1 2 313.386 2.085 50 70 DEIALO O=c1nc(C[N@@H+]2CCCSCC2)[nH]c2sc3c(c21)CCC3 ZINC000161486327 402389432 /nfs/dbraw/zinc/38/94/32/402389432.db2.gz LLPWQBIOBDAIFZ-UHFFFAOYSA-N 1 2 321.471 2.412 50 70 DEIALO O=c1nc(C[N@H+]2CCCSCC2)[nH]c2sc3c(c21)CCC3 ZINC000161486327 402389433 /nfs/dbraw/zinc/38/94/33/402389433.db2.gz LLPWQBIOBDAIFZ-UHFFFAOYSA-N 1 2 321.471 2.412 50 70 DEIALO COc1ccc(F)c(F)c1C[N@@H+]1CCn2nc([C@@H](C)O)cc2C1 ZINC000216998506 402290783 /nfs/dbraw/zinc/29/07/83/402290783.db2.gz WLCRGLXJXIIPNH-SNVBAGLBSA-N 1 2 323.343 2.239 50 70 DEIALO COc1ccc(F)c(F)c1C[N@H+]1CCn2nc([C@@H](C)O)cc2C1 ZINC000216998506 402290786 /nfs/dbraw/zinc/29/07/86/402290786.db2.gz WLCRGLXJXIIPNH-SNVBAGLBSA-N 1 2 323.343 2.239 50 70 DEIALO Cn1cc[nH+]c1CN(C(=O)[C@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000218394199 402296105 /nfs/dbraw/zinc/29/61/05/402296105.db2.gz XBVULUCKODSYEV-OAHLLOKOSA-N 1 2 319.792 2.298 50 70 DEIALO CCNc1nc(C)c(C(=O)N[C@@H](CC)Cn2cc[nH+]c2)s1 ZINC000217731151 402293371 /nfs/dbraw/zinc/29/33/71/402293371.db2.gz PUWWOWLWKVXBCJ-NSHDSACASA-N 1 2 307.423 2.288 50 70 DEIALO Cc1noc(C)c1CN(C)C(=O)CC1=CSC2=[NH+]CCCN12 ZINC000218018988 402294278 /nfs/dbraw/zinc/29/42/78/402294278.db2.gz HXQZQGCKLHWFTK-UHFFFAOYSA-N 1 2 320.418 2.290 50 70 DEIALO CCOCCOc1ccccc1C(=O)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000217977329 402294350 /nfs/dbraw/zinc/29/43/50/402294350.db2.gz IJYFKWATWIYZOQ-UHFFFAOYSA-N 1 2 317.389 2.406 50 70 DEIALO C[C@@H](CC1CC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160186199 197392159 /nfs/dbraw/zinc/39/21/59/197392159.db2.gz QYVFYWUIPDTALS-AWEZNQCLSA-N 1 2 302.422 2.097 50 70 DEIALO CC[C@@H]1[C@@H](NC(=O)Cc2ccc3[nH]c(C)[nH+]c3c2)[C@@H]2CCO[C@H]12 ZINC000218157075 402294677 /nfs/dbraw/zinc/29/46/77/402294677.db2.gz GGYYZNDBLYMNIC-JGTCGTHISA-N 1 2 313.401 2.344 50 70 DEIALO CC[C@@H]1[C@@H](NC(=O)Cc2ccc3[nH+]c(C)[nH]c3c2)[C@@H]2CCO[C@H]12 ZINC000218157075 402294679 /nfs/dbraw/zinc/29/46/79/402294679.db2.gz GGYYZNDBLYMNIC-JGTCGTHISA-N 1 2 313.401 2.344 50 70 DEIALO O=C(N[C@@H]1C=CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160703164 402357274 /nfs/dbraw/zinc/35/72/74/402357274.db2.gz IMBIEJGTYFDATQ-OAHLLOKOSA-N 1 2 300.406 2.018 50 70 DEIALO Cc1ccc(CCNC(=O)CC[C@H](C)N2CC[NH+](C)CC2)s1 ZINC000218670286 402296315 /nfs/dbraw/zinc/29/63/15/402296315.db2.gz MDJTYEHSSFZMBX-AWEZNQCLSA-N 1 2 323.506 2.131 50 70 DEIALO COc1ncccc1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C ZINC000216958122 402290793 /nfs/dbraw/zinc/29/07/93/402290793.db2.gz JVHKSELSJABSLR-UHFFFAOYSA-N 1 2 310.357 2.215 50 70 DEIALO CCc1ccc(C[N@@H+]2CCCn3nc([C@@H](C)O)cc3C2)nc1 ZINC000218457935 402296273 /nfs/dbraw/zinc/29/62/73/402296273.db2.gz VHSVQZVPLHVUQO-CYBMUJFWSA-N 1 2 300.406 2.300 50 70 DEIALO CCc1ccc(C[N@H+]2CCCn3nc([C@@H](C)O)cc3C2)nc1 ZINC000218457935 402296274 /nfs/dbraw/zinc/29/62/74/402296274.db2.gz VHSVQZVPLHVUQO-CYBMUJFWSA-N 1 2 300.406 2.300 50 70 DEIALO Cc1ccc(CCNC(=O)CC[C@@H](C)N2CC[NH+](C)CC2)s1 ZINC000218670220 402296232 /nfs/dbraw/zinc/29/62/32/402296232.db2.gz MDJTYEHSSFZMBX-CQSZACIVSA-N 1 2 323.506 2.131 50 70 DEIALO C[C@H](CC1CC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160186330 402337721 /nfs/dbraw/zinc/33/77/21/402337721.db2.gz QYVFYWUIPDTALS-CQSZACIVSA-N 1 2 302.422 2.097 50 70 DEIALO