smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(O)c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152687275 432346973 /nfs/dbraw/zinc/34/69/73/432346973.db2.gz RHIJLAVISNZIKR-UHFFFAOYSA-N 1 3 318.461 3.099 10 10 DGCEHO CCOc1ccc([O-])c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152687275 432346975 /nfs/dbraw/zinc/34/69/75/432346975.db2.gz RHIJLAVISNZIKR-UHFFFAOYSA-N 1 3 318.461 3.099 10 10 DGCEHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644964 662358456 /nfs/dbraw/zinc/35/84/56/662358456.db2.gz HMGFFUAQGIHZGW-APWZRJJASA-N 1 3 303.494 3.447 10 10 DGCEHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644964 662358459 /nfs/dbraw/zinc/35/84/59/662358459.db2.gz HMGFFUAQGIHZGW-APWZRJJASA-N 1 3 303.494 3.447 10 10 DGCEHO CN(C)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134178630 529780224 /nfs/dbraw/zinc/78/02/24/529780224.db2.gz FLJGAMLWDYHJOJ-UHFFFAOYSA-N 1 3 301.478 3.060 10 10 DGCEHO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1 ZINC000236836813 1202627965 /nfs/dbraw/zinc/62/79/65/1202627965.db2.gz STOASSZRWYVEHF-LJQANCHMSA-N 1 3 301.478 3.251 10 10 DGCEHO CC[N@H+]1CCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1 ZINC000236836813 1202627966 /nfs/dbraw/zinc/62/79/66/1202627966.db2.gz STOASSZRWYVEHF-LJQANCHMSA-N 1 3 301.478 3.251 10 10 DGCEHO c1ccc2c(c1)CC[N@@H+](CCCNCc1ccc3c(c1)CCO3)C2 ZINC000097497815 1199140079 /nfs/dbraw/zinc/14/00/79/1199140079.db2.gz ZRTIGNSKYPCIAR-UHFFFAOYSA-N 1 3 322.452 3.160 10 10 DGCEHO c1ccc2c(c1)CC[N@H+](CCCNCc1ccc3c(c1)CCO3)C2 ZINC000097497815 1199140091 /nfs/dbraw/zinc/14/00/91/1199140091.db2.gz ZRTIGNSKYPCIAR-UHFFFAOYSA-N 1 3 322.452 3.160 10 10 DGCEHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644963 655740578 /nfs/dbraw/zinc/74/05/78/655740578.db2.gz HMGFFUAQGIHZGW-VQIMIIECSA-N 1 3 303.494 3.447 10 10 DGCEHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644963 655740580 /nfs/dbraw/zinc/74/05/80/655740580.db2.gz HMGFFUAQGIHZGW-VQIMIIECSA-N 1 3 303.494 3.447 10 10 DGCEHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245718244 662239030 /nfs/dbraw/zinc/23/90/30/662239030.db2.gz HMGFFUAQGIHZGW-LPHOPBHVSA-N 1 3 303.494 3.447 10 10 DGCEHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000245718244 662239033 /nfs/dbraw/zinc/23/90/33/662239033.db2.gz HMGFFUAQGIHZGW-LPHOPBHVSA-N 1 3 303.494 3.447 10 10 DGCEHO CCOc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1O ZINC000156012594 521337080 /nfs/dbraw/zinc/33/70/80/521337080.db2.gz XNKWHGZTFWGMOA-UHFFFAOYSA-N 1 3 318.461 3.099 10 10 DGCEHO CCOc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1[O-] ZINC000156012594 521337089 /nfs/dbraw/zinc/33/70/89/521337089.db2.gz XNKWHGZTFWGMOA-UHFFFAOYSA-N 1 3 318.461 3.099 10 10 DGCEHO COc1cc(Cl)cc(C[N@H+](C)CCCCCC[NH3+])c1[O-] ZINC000710683510 660932671 /nfs/dbraw/zinc/93/26/71/660932671.db2.gz JHLMROXHWHJICI-UHFFFAOYSA-N 1 3 300.830 3.005 10 10 DGCEHO COc1cc(Cl)cc(C[N@@H+](C)CCCCCC[NH3+])c1[O-] ZINC000710683510 660932674 /nfs/dbraw/zinc/93/26/74/660932674.db2.gz JHLMROXHWHJICI-UHFFFAOYSA-N 1 3 300.830 3.005 10 10 DGCEHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245718249 662239083 /nfs/dbraw/zinc/23/90/83/662239083.db2.gz HMGFFUAQGIHZGW-QFBILLFUSA-N 1 3 303.494 3.447 10 10 DGCEHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000245718249 662239085 /nfs/dbraw/zinc/23/90/85/662239085.db2.gz HMGFFUAQGIHZGW-QFBILLFUSA-N 1 3 303.494 3.447 10 10 DGCEHO c1cc(N2CCCCC2)ccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000236673769 1202618739 /nfs/dbraw/zinc/61/87/39/1202618739.db2.gz CXWUMAODVHQFJF-SFHVURJKSA-N 1 3 313.489 3.251 10 10 DGCEHO c1cc(N2CCCCC2)ccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000236673769 1202618740 /nfs/dbraw/zinc/61/87/40/1202618740.db2.gz CXWUMAODVHQFJF-SFHVURJKSA-N 1 3 313.489 3.251 10 10 DGCEHO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000236673769 1202618741 /nfs/dbraw/zinc/61/87/41/1202618741.db2.gz CXWUMAODVHQFJF-SFHVURJKSA-N 1 3 313.489 3.251 10 10 DGCEHO c1cc(N2CCCCC2)ccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000236674192 1202618779 /nfs/dbraw/zinc/61/87/79/1202618779.db2.gz CXWUMAODVHQFJF-GOSISDBHSA-N 1 3 313.489 3.251 10 10 DGCEHO c1cc(N2CCCCC2)ccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000236674192 1202618780 /nfs/dbraw/zinc/61/87/80/1202618780.db2.gz CXWUMAODVHQFJF-GOSISDBHSA-N 1 3 313.489 3.251 10 10 DGCEHO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000236674192 1202618781 /nfs/dbraw/zinc/61/87/81/1202618781.db2.gz CXWUMAODVHQFJF-GOSISDBHSA-N 1 3 313.489 3.251 10 10 DGCEHO c1cc(N2CCCC2)ccc1C[NH2+]CCCN1CCCCC1 ZINC000393563005 1197719888 /nfs/dbraw/zinc/71/98/88/1197719888.db2.gz XROKMGGLQSEEOF-UHFFFAOYSA-N 1 3 301.478 3.252 10 10 DGCEHO CC[N@@H+]1CCC[C@H]1CNCc1ccc(N2CCCCC2)cc1 ZINC000236842213 1202629143 /nfs/dbraw/zinc/62/91/43/1202629143.db2.gz STOASSZRWYVEHF-IBGZPJMESA-N 1 3 301.478 3.251 10 10 DGCEHO CC[N@H+]1CCC[C@H]1CNCc1ccc(N2CCCCC2)cc1 ZINC000236842213 1202629144 /nfs/dbraw/zinc/62/91/44/1202629144.db2.gz STOASSZRWYVEHF-IBGZPJMESA-N 1 3 301.478 3.251 10 10 DGCEHO